4-(1H-indol-7-ylsulfamoyl)benzoic acid

C15H12N2O4S — CID 22228599

IUPAC4-(1H-indol-7-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C15H12N2O4S/c18-15(19)11-4-6-12(7-5-11)22(20,21)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H,(H,18,19)
InChIKeyWAZNWICQSMQXIE-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.67
Rot. Bonds4

About 4-(1H-indol-7-ylsulfamoyl)benzoic acid

4-(1H-indol-7-ylsulfamoyl)benzoic acid (PubChem CID 22228599) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-(1H-indol-7-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(1H-indol-7-ylsulfamoyl)benzoic acid
PubChem CID22228599
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name4-(1H-indol-7-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C15H12N2O4S/c18-15(19)11-4-6-12(7-5-11)22(20,21)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H,(H,18,19)
InChIKeyWAZNWICQSMQXIE-UHFFFAOYSA-N
XLogP2.67
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(1H-indol-7-yl)pyridine-3-sulfonamide
CID 19080167
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
6-(naphthalen-1-ylsulfonylamino)-1H-indole-7-carboxylic acid
CID 68865000
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
4-(1H-indol-7-ylmethyl)benzoic acid
CID 175513597
4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 12017243
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
N-(1H-indazol-7-yl)benzenesulfonamide
CID 24653975
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-7-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(1H-indol-7-ylsulfamoyl)benzoic acid (CID 22228599) is 4-(1H-indol-7-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(1H-indol-7-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(1H-indol-7-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1.
What is the InChIKey of 4-(1H-indol-7-ylsulfamoyl)benzoic acid?
The InChIKey is WAZNWICQSMQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-15(19)11-4-6-12(7-5-11)22(20,21)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H,(H,18,19).
What are the key properties of 4-(1H-indol-7-ylsulfamoyl)benzoic acid?
4-(1H-indol-7-ylsulfamoyl)benzoic acid has a molecular weight of 316.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-7-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 22228599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).