4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide

C14H12ClN3O2S — CID 10268048

IUPAC4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H12ClN3O2S/c15-12-8-17-14-11(12)2-1-3-13(14)18-21(19,20)10-6-4-9(16)5-7-10/h1-8,17-18H,16H2
InChIKeyBBZBFSPWJFJXHM-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.20
Rot. Bonds3

About 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide

4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 10268048) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
PubChem CID10268048
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H12ClN3O2S/c15-12-8-17-14-11(12)2-1-3-13(14)18-21(19,20)10-6-4-9(16)5-7-10/h1-8,17-18H,16H2
InChIKeyBBZBFSPWJFJXHM-UHFFFAOYSA-N
XLogP3.20
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 147916945
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
CID 67079891
N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 22228535
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
CID 169181732
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664660
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
N-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629246

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide (CID 10268048) is 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is BBZBFSPWJFJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-12-8-17-14-11(12)2-1-3-13(14)18-21(19,20)10-6-4-9(16)5-7-10/h1-8,17-18H,16H2.
What are the key properties of 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 10268048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).