4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide

C14H12ClN3O2S2 — CID 169181732

IUPAC4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SNc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H12ClN3O2S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-21-9-4-6-10(7-5-9)22(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKeyYRHFNRVSFJUVST-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.59
Rot. Bonds4

About 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide

4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide (PubChem CID 169181732) has the molecular formula C14H12ClN3O2S2 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
PubChem CID169181732
Molecular FormulaC14H12ClN3O2S2
Molecular Weight353.86 g/mol
Exact Mass353.01
IUPAC Name4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SNc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H12ClN3O2S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-21-9-4-6-10(7-5-9)22(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKeyYRHFNRVSFJUVST-UHFFFAOYSA-N
XLogP3.59
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 147916945
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
CID 67079891
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane
CID 177228565
N-(3-chloro-1H-indol-7-yl)benzenesulfinamide
CID 156886329
3-[5-[(3-chloro-1H-indol-7-yl)amino]sulfanyl-1,3-thiazol-2-yl]oxetan-3-ol
CID 170949549
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664660
3-[2-[(3-chloro-1H-indol-7-yl)amino]sulfanyl-1,3-thiazol-5-yl]oxetan-3-ol;ethane
CID 177228555

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide?
The IUPAC name of 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide (CID 169181732) is 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide is NS(=O)(=O)c1ccc(SNc2cccc3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide?
The InChIKey is YRHFNRVSFJUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-21-9-4-6-10(7-5-9)22(16,19)20/h1-8,17-18H,(H2,16,19,20).
What are the key properties of 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide?
4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide has a molecular weight of 353.86 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide is sourced from PubChem (CID 169181732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).