N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide

C125H126N22O20S5-2 — CID 172985408

About N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide

N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide (PubChem CID 172985408) has the molecular formula C125H126N22O20S5-2 and a molecular weight of 2416.85 g/mol. Its IUPAC name is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide
• PubChem CID: 172985408
• Molecular Formula: C125H126N22O20S5-2
• Molecular Weight: 2416.85 g/mol
• Exact Mass: 2414.81
• IUPAC Name: N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide
• SMILES: O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(N2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(Nc1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1)/C(Cc1ccccc1)=N/[O-].O=C(Nc1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)/C(Cc1ccccc1)=N/[O-]
• InChI: InChI=1S/C32H32N4O4S.C30H30N4O4S.C22H22N4O4S.C21H23N5O4S.C20H21N5O4S/c37-32(31(34-38)23-24-7-3-1-4-8-24)33-27-13-15-29(16-14-27)36-21-19-28(20-22-36)35-41(39,40)30-17-11-26(12-18-30)25-9-5-2-6-10-25;35-30(29(32-36)20-22-6-2-1-3-7-22)31-25-11-13-27(14-12-25)34-18-16-26(17-19-34)33-39(37,38)28-15-10-23-8-4-5-9-24(23)21-28;27-22(24-28)18-8-11-21(23-14-18)26-13-12-19(15-26)25-31(29,30)20-9-6-17(7-10-20)16-4-2-1-3-5-16;27-20(24-28)17-13-22-21(23-14-17)26-10-3-6-18(9-11-26)25-31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-19(23-27)16-12-21-20(22-13-16)25-9-7-17(8-10-25)24-30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-18,28,35,38H,19-23H2,(H,33,37);1-15,21,26,33,36H,16-20H2,(H,31,35);1-11,14,19,25,28H,12-13,15H2,(H,24,27);1-2,4-5,7-8,12-14,18,25,28H,3,6,9-11H2,(H,24,27);1-6,11-13,17,24,27H,7-10H2,(H,23,26)/p-2/b34-31+;32-29+
• InChIKey: PQNSQVRZGBZTBO-WDKGBYPQSA-L
• XLogP: 16.54
• TPSA: 588.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.85
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide?

The IUPAC name of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide (CID 172985408) is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide.

What is the SMILES notation for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide?

The canonical SMILES for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide is O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(N2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(Nc1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1)/C(Cc1ccccc1)=N/[O-].O=C(Nc1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)/C(Cc1ccccc1)=N/[O-].

What is the InChIKey of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide?

The InChIKey is PQNSQVRZGBZTBO-WDKGBYPQSA-L. The full InChI is InChI=1S/C32H32N4O4S.C30H30N4O4S.C22H22N4O4S.C21H23N5O4S.C20H21N5O4S/c37-32(31(34-38)23-24-7-3-1-4-8-24)33-27-13-15-29(16-14-27)36-21-19-28(20-22-36)35-41(39,40)30-17-11-26(12-18-30)25-9-5-2-6-10-25;35-30(29(32-36)20-22-6-2-1-3-7-22)31-25-11-13-27(14-12-25)34-18-16-26(17-19-34)33-39(37,38)28-15-10-23-8-4-5-9-24(23)21-28;27-22(24-28)18-8-11-21(23-14-18)26-13-12-19(15-26)25-31(29,30)20-9-6-17(7-10-20)16-4-2-1-3-5-16;27-20(24-28)17-13-22-21(23-14-17)26-10-3-6-18(9-11-26)25-31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-19(23-27)16-12-21-20(22-13-16)25-9-7-17(8-10-25)24-30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-18,28,35,38H,19-23H2,(H,33,37);1-15,21,26,33,36H,16-20H2,(H,31,35);1-11,14,19,25,28H,12-13,15H2,(H,24,27);1-2,4-5,7-8,12-14,18,25,28H,3,6,9-11H2,(H,24,27);1-6,11-13,17,24,27H,7-10H2,(H,23,26)/p-2/b34-31+;32-29+;;;.

What are the key properties of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide?

N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide has a molecular weight of 2416.85 g/mol, XLogP of 16.54, 33 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide;(2E)-N-[4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]phenyl]-2-oxidoimino-3-phenylpropanamide;(2E)-2-oxidoimino-3-phenyl-N-[4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 172985408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).