4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide

C14H15ClN2O2S2 — CID 115330040

IUPAC4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCc3sccc32)cc1Cl
InChIInChI=1S/C14H15ClN2O2S2/c15-11-8-9(4-5-12(11)16)21(18,19)17-13-2-1-3-14-10(13)6-7-20-14/h4-8,13,17H,1-3,16H2
InChIKeyHHVNARNCFXRJFL-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.34
Rot. Bonds3

About 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide

4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (PubChem CID 115330040) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
PubChem CID115330040
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCc3sccc32)cc1Cl
InChIInChI=1S/C14H15ClN2O2S2/c15-11-8-9(4-5-12(11)16)21(18,19)17-13-2-1-3-14-10(13)6-7-20-14/h4-8,13,17H,1-3,16H2
InChIKeyHHVNARNCFXRJFL-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62840437
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
CID 62844946
2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
CID 62844973
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 81241971
2-chloro-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazole-5-sulfonamide
CID 62844035
5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62843215
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butane-1-sulfonamide
CID 114141023
2-cyano-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62844933
N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
CID 62841074
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (CID 115330040) is 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CCCc3sccc32)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The InChIKey is HHVNARNCFXRJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-11-8-9(4-5-12(11)16)21(18,19)17-13-2-1-3-14-10(13)6-7-20-14/h4-8,13,17H,1-3,16H2.
What are the key properties of 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide has a molecular weight of 342.87 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is sourced from PubChem (CID 115330040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).