4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide

C17H22ClNO2S2 — CID 10248669

IUPAC4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide
SMILESCC(C)CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H22ClNO2S2/c1-13(2)5-3-6-16(17-7-4-12-22-17)19-23(20,21)15-10-8-14(18)9-11-15/h4,7-13,16,19H,3,5-6H2,1-2H3
InChIKeyBJCCXFANKSYYCV-UHFFFAOYSA-N
MW371.96 g/mol
LogP5.25
Rot. Bonds8

About 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide

4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide (PubChem CID 10248669) has the molecular formula C17H22ClNO2S2 and a molecular weight of 371.96 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide
PubChem CID10248669
Molecular FormulaC17H22ClNO2S2
Molecular Weight371.96 g/mol
Exact Mass371.08
IUPAC Name4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide
SMILESCC(C)CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H22ClNO2S2/c1-13(2)5-3-6-16(17-7-4-12-22-17)19-23(20,21)15-10-8-14(18)9-11-15/h4,7-13,16,19H,3,5-6H2,1-2H3
InChIKeyBJCCXFANKSYYCV-UHFFFAOYSA-N
XLogP5.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.96
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid
CID 3655458
methyl 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-6-methylheptyl]thiophen-2-yl]butanoate
CID 139712838
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
methyl 5-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]phenyl]pentanoate
CID 23353761
4-chloro-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7099199
4-chloro-N-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30622327
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
2-(6-methylheptan-2-yl)thiophene
CID 141463687
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide
CID 64600123
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide (CID 10248669) is 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide is CC(C)CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide?
The InChIKey is BJCCXFANKSYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2S2/c1-13(2)5-3-6-16(17-7-4-12-22-17)19-23(20,21)15-10-8-14(18)9-11-15/h4,7-13,16,19H,3,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide?
4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide has a molecular weight of 371.96 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide is sourced from PubChem (CID 10248669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).