4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide

C14H15ClN2O2S2 — CID 62840437

IUPAC4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCc3sccc32)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2S2/c15-11-8-9(16)4-5-14(11)21(18,19)17-12-2-1-3-13-10(12)6-7-20-13/h4-8,12,17H,1-3,16H2
InChIKeyXCVDZCKQNHPAPP-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.34
Rot. Bonds3

About 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide

4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (PubChem CID 62840437) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
PubChem CID62840437
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCc3sccc32)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2S2/c15-11-8-9(16)4-5-14(11)21(18,19)17-12-2-1-3-13-10(12)6-7-20-13/h4-8,12,17H,1-3,16H2
InChIKeyXCVDZCKQNHPAPP-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (CID 62840437) is 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CCCc3sccc32)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The InChIKey is XCVDZCKQNHPAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-11-8-9(16)4-5-14(11)21(18,19)17-12-2-1-3-13-10(12)6-7-20-13/h4-8,12,17H,1-3,16H2.
What are the key properties of 4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
4-amino-2-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-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is sourced from PubChem (CID 62840437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).