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

C15H17NO2S2 — CID 18929784

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCc2sccc2C1
InChIInChI=1S/C15H17NO2S2/c1-11-4-2-3-5-15(11)20(17,18)16-13-6-7-14-12(10-13)8-9-19-14/h2-5,8-9,13,16H,6-7,10H2,1H3
InChIKeyLCSVPPHNRGYNKB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.89
Rot. Bonds3

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

2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide (PubChem CID 18929784) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide
PubChem CID18929784
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCc2sccc2C1
InChIInChI=1S/C15H17NO2S2/c1-11-4-2-3-5-15(11)20(17,18)16-13-6-7-14-12(10-13)8-9-19-14/h2-5,8-9,13,16H,6-7,10H2,1H3
InChIKeyLCSVPPHNRGYNKB-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide
CID 70187609
N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
CID 115695655
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
CID 113096741
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 62304248
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 60639849
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 81241971
2-cyano-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62844933
5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62843215
2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide (CID 18929784) is 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CCc2sccc2C1.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide?
The InChIKey is LCSVPPHNRGYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-11-4-2-3-5-15(11)20(17,18)16-13-6-7-14-12(10-13)8-9-19-14/h2-5,8-9,13,16H,6-7,10H2,1H3.
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide?
2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide is sourced from PubChem (CID 18929784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).