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

C15H16BrNO2S2 — CID 62843215

IUPAC5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCCc2sccc21
InChIInChI=1S/C15H16BrNO2S2/c1-10-5-6-11(16)9-15(10)21(18,19)17-13-3-2-4-14-12(13)7-8-20-14/h5-9,13,17H,2-4H2,1H3
InChIKeyYJWDIKCAJQJJRE-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.17
Rot. Bonds3

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

5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (PubChem CID 62843215) has the molecular formula C15H16BrNO2S2 and a molecular weight of 386.34 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
PubChem CID62843215
Molecular FormulaC15H16BrNO2S2
Molecular Weight386.34 g/mol
Exact Mass384.98
IUPAC Name5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCCc2sccc21
InChIInChI=1S/C15H16BrNO2S2/c1-10-5-6-11(16)9-15(10)21(18,19)17-13-3-2-4-14-12(13)7-8-20-14/h5-9,13,17H,2-4H2,1H3
InChIKeyYJWDIKCAJQJJRE-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 81241971
4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62840437
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
2-cyano-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62844933
2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
CID 62844973
2-chloro-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazole-5-sulfonamide
CID 62844035
N-[1-(3,4-dimethylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841811
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
3-bromo-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 81472327
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
4-bromo-1-N,1-N-dimethyl-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,2-diamine
CID 63450278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (CID 62843215) is 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC1CCCc2sccc21.
What is the InChIKey of 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The InChIKey is YJWDIKCAJQJJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S2/c1-10-5-6-11(16)9-15(10)21(18,19)17-13-3-2-4-14-12(13)7-8-20-14/h5-9,13,17H,2-4H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide has a molecular weight of 386.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is sourced from PubChem (CID 62843215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).