N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide

C16H15NO2S2 — CID 166448666

IUPACN-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H15NO2S2/c1-12-7-9-14(10-8-12)21(18,19)17(2)16-11-13-5-3-4-6-15(13)20-16/h3-11H,1-2H3
InChIKeyTWAPUFVJKHMPKN-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.03
Rot. Bonds3

About N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide

N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 166448666) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID166448666
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H15NO2S2/c1-12-7-9-14(10-8-12)21(18,19)17(2)16-11-13-5-3-4-6-15(13)20-16/h3-11H,1-2H3
InChIKeyTWAPUFVJKHMPKN-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,5-trimethyl-1-benzothiophen-2-amine
CID 166120724
N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,4-dimethylbenzenesulfonamide
CID 167570192
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(1-benzothiophen-2-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 66907585
N-(2-ethylphenyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810758
N-tert-butyl-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810390
N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733912
N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810576
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide (CID 166448666) is N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is TWAPUFVJKHMPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-12-7-9-14(10-8-12)21(18,19)17(2)16-11-13-5-3-4-6-15(13)20-16/h3-11H,1-2H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide?
N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 317.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 166448666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).