N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide

C27H29N3O4S — CID 87113790

IUPACN-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide
SMILESO=C(CCCCCCNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO
InChIInChI=1S/C27H29N3O4S/c31-27(30-32)9-3-1-2-6-17-29-35(33,34)26-8-5-4-7-24(26)21-12-10-20(11-13-21)23-15-14-22-16-18-28-25(22)19-23/h4-5,7-8,10-16,18-19,28-29,32H,1-3,6,9,17H2,(H,30,31)
InChIKeySGOGPRRNWXNUHX-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.24
Rot. Bonds11

About N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide

N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide (PubChem CID 87113790) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide
PubChem CID87113790
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide
SMILESO=C(CCCCCCNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO
InChIInChI=1S/C27H29N3O4S/c31-27(30-32)9-3-1-2-6-17-29-35(33,34)26-8-5-4-7-24(26)21-12-10-20(11-13-21)23-15-14-22-16-18-28-25(22)19-23/h4-5,7-8,10-16,18-19,28-29,32H,1-3,6,9,17H2,(H,30,31)
InChIKeySGOGPRRNWXNUHX-UHFFFAOYSA-N
XLogP5.24
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide?
The IUPAC name of N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide (CID 87113790) is N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide?
The canonical SMILES for N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide is O=C(CCCCCCNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO.
What is the InChIKey of N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide?
The InChIKey is SGOGPRRNWXNUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-27(30-32)9-3-1-2-6-17-29-35(33,34)26-8-5-4-7-24(26)21-12-10-20(11-13-21)23-15-14-22-16-18-28-25(22)19-23/h4-5,7-8,10-16,18-19,28-29,32H,1-3,6,9,17H2,(H,30,31).
What are the key properties of N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide?
N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide has a molecular weight of 491.61 g/mol, XLogP of 5.24, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide is sourced from PubChem (CID 87113790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).