4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide

C15H14N2O2S2 — CID 65475795

IUPAC4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccc1N
InChIInChI=1S/C15H14N2O2S2/c1-10-8-13(3-4-14(10)16)21(18,19)17-12-2-5-15-11(9-12)6-7-20-15/h2-9,17H,16H2,1H3
InChIKeyJNLRMFUVJBCCAR-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.59
Rot. Bonds3

About 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide

4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide (PubChem CID 65475795) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
PubChem CID65475795
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccc1N
InChIInChI=1S/C15H14N2O2S2/c1-10-8-13(3-4-14(10)16)21(18,19)17-12-2-5-15-11(9-12)6-7-20-15/h2-9,17H,16H2,1H3
InChIKeyJNLRMFUVJBCCAR-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.59
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

N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 65451533
4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
CID 65475216
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003729
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
3-(aminomethyl)-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106003747
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300838
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide (CID 65475795) is 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccc1N.
What is the InChIKey of 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide?
The InChIKey is JNLRMFUVJBCCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-8-13(3-4-14(10)16)21(18,19)17-12-2-5-15-11(9-12)6-7-20-15/h2-9,17H,16H2,1H3.
What are the key properties of 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide?
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 65475795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).