4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride

C56H57Cl2N17O14S4 — CID 159428880

IUPAC4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
SMILESCn1cnc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1cnc2ccc(-c3cc(Nc4ccc(S(N)(=O)=O)cc4)nc(N4CCOCC4)n3)cc21.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Nc1ccc(S(N)(=O)=O)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C22H23N7O3S.C16H16ClN5O.C6H4ClNO4S.C6H6N2O4S.C6H8N2O2S/c1-28-14-24-18-7-2-15(12-20(18)28)19-13-21(27-22(26-19)29-8-10-32-11-9-29)25-16-3-5-17(6-4-16)33(23,30)31;1-21-10-18-12-3-2-11(8-14(12)21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;2*7-13(11,12)6-3-1-5(2-4-6)8(9)10;7-5-1-3-6(4-2-5)11(8,9)10/h2-7,12-14H,8-11H2,1H3,(H2,23,30,31)(H,25,26,27);2-3,8-10H,4-7H2,1H3;1-4H;1-4H,(H2,7,11,12);1-4H,7H2,(H2,8,9,10)
InChIKeyLQSNYELYPVXZRN-UHFFFAOYSA-N
MW1391.35 g/mol
LogP6.46
Rot. Bonds12

About 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride

4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride (PubChem CID 159428880) has the molecular formula C56H57Cl2N17O14S4 and a molecular weight of 1391.35 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
PubChem CID159428880
Molecular FormulaC56H57Cl2N17O14S4
Molecular Weight1391.35 g/mol
Exact Mass1389.25
IUPAC Name4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
SMILESCn1cnc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1cnc2ccc(-c3cc(Nc4ccc(S(N)(=O)=O)cc4)nc(N4CCOCC4)n3)cc21.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Nc1ccc(S(N)(=O)=O)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C22H23N7O3S.C16H16ClN5O.C6H4ClNO4S.C6H6N2O4S.C6H8N2O2S/c1-28-14-24-18-7-2-15(12-20(18)28)19-13-21(27-22(26-19)29-8-10-32-11-9-29)25-16-3-5-17(6-4-16)33(23,30)31;1-21-10-18-12-3-2-11(8-14(12)21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;2*7-13(11,12)6-3-1-5(2-4-6)8(9)10;7-5-1-3-6(4-2-5)11(8,9)10/h2-7,12-14H,8-11H2,1H3,(H2,23,30,31)(H,25,26,27);2-3,8-10H,4-7H2,1H3;1-4H;1-4H,(H2,7,11,12);1-4H,7H2,(H2,8,9,10)
InChIKeyLQSNYELYPVXZRN-UHFFFAOYSA-N
XLogP6.46
TPSA451.09 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001391.35
LogP ≤ 56.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride with MolForge

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Related Compounds

N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide
CID 157272709
acetyl chloride;N-(4-aminophenyl)acetamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]acetamide;4-nitroaniline;N-(4-nitrophenyl)acetamide
CID 161784116

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride (CID 159428880) is 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride is Cn1cnc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1cnc2ccc(-c3cc(Nc4ccc(S(N)(=O)=O)cc4)nc(N4CCOCC4)n3)cc21.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Nc1ccc(S(N)(=O)=O)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
The InChIKey is LQSNYELYPVXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3S.C16H16ClN5O.C6H4ClNO4S.C6H6N2O4S.C6H8N2O2S/c1-28-14-24-18-7-2-15(12-20(18)28)19-13-21(27-22(26-19)29-8-10-32-11-9-29)25-16-3-5-17(6-4-16)33(23,30)31;1-21-10-18-12-3-2-11(8-14(12)21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;2*7-13(11,12)6-3-1-5(2-4-6)8(9)10;7-5-1-3-6(4-2-5)11(8,9)10/h2-7,12-14H,8-11H2,1H3,(H2,23,30,31)(H,25,26,27);2-3,8-10H,4-7H2,1H3;1-4H;1-4H,(H2,7,11,12);1-4H,7H2,(H2,8,9,10).
What are the key properties of 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride has a molecular weight of 1391.35 g/mol, XLogP of 6.46, 12 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 159428880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).