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

C14H12ClN3O2S2 — CID 147916945

IUPAC4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
SMILESNSc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H12ClN3O2S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-22(19,20)10-6-4-9(21-16)5-7-10/h1-8,17-18H,16H2
InChIKeyIHGHRYOCBHYEET-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.59
Rot. Bonds4

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

4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 147916945) has the molecular formula C14H12ClN3O2S2 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
PubChem CID147916945
Molecular FormulaC14H12ClN3O2S2
Molecular Weight353.86 g/mol
Exact Mass353.01
IUPAC Name4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
SMILESNSc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H12ClN3O2S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-22(19,20)10-6-4-9(21-16)5-7-10/h1-8,17-18H,16H2
InChIKeyIHGHRYOCBHYEET-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'}

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Related Compounds

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
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
CID 169181732
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
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
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664660
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
N-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629246
N-(3-chloro-1H-indol-7-yl)benzenesulfinamide
CID 156886329

Frequently Asked Questions

What is the IUPAC name of 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide (CID 147916945) is 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide is NSc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is IHGHRYOCBHYEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-22(19,20)10-6-4-9(21-16)5-7-10/h1-8,17-18H,16H2.
What are the key properties of 4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide?
4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide 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-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 147916945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).