3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide

C27H22N4O3S — CID 46182505

IUPAC3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H22N4O3S/c32-27(29-23-15-14-22-18-28-30-26(22)17-23)21-10-7-11-24(16-21)31(19-20-8-3-1-4-9-20)35(33,34)25-12-5-2-6-13-25/h1-18H,19H2,(H,28,30)(H,29,32)
InChIKeyAGHPWTLFGRKMRU-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.21
Rot. Bonds7

About 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide

3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide (PubChem CID 46182505) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide
PubChem CID46182505
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC Name3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H22N4O3S/c32-27(29-23-15-14-22-18-28-30-26(22)17-23)21-10-7-11-24(16-21)31(19-20-8-3-1-4-9-20)35(33,34)25-12-5-2-6-13-25/h1-18H,19H2,(H,28,30)(H,29,32)
InChIKeyAGHPWTLFGRKMRU-UHFFFAOYSA-N
XLogP5.21
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-N-[3-(3-Sulfamoylphenyl)-2h-Indazol-5-Yl]acetamide
CID 67455813
N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
N-[cyclohexyl(phenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67456716
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide (CID 46182505) is 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide?
The InChIKey is AGHPWTLFGRKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c32-27(29-23-15-14-22-18-28-30-26(22)17-23)21-10-7-11-24(16-21)31(19-20-8-3-1-4-9-20)35(33,34)25-12-5-2-6-13-25/h1-18H,19H2,(H,28,30)(H,29,32).
What are the key properties of 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide?
3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide has a molecular weight of 482.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(benzyl)amino]-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 46182505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).