3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide

C18H16ClNO2S2 — CID 18279348

IUPAC3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2cccc(Cl)c2)c2cccs2)cc1
InChIInChI=1S/C18H16ClNO2S2/c1-13-7-9-14(10-8-13)18(17-6-3-11-23-17)20-24(21,22)16-5-2-4-15(19)12-16/h2-12,18,20H,1H3
InChIKeyWAJZFYLXWYBISH-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.78
Rot. Bonds5

About 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide

3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide (PubChem CID 18279348) has the molecular formula C18H16ClNO2S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
PubChem CID18279348
Molecular FormulaC18H16ClNO2S2
Molecular Weight377.92 g/mol
Exact Mass377.03
IUPAC Name3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2cccc(Cl)c2)c2cccs2)cc1
InChIInChI=1S/C18H16ClNO2S2/c1-13-7-9-14(10-8-13)18(17-6-3-11-23-17)20-24(21,22)16-5-2-4-15(19)12-16/h2-12,18,20H,1H3
InChIKeyWAJZFYLXWYBISH-UHFFFAOYSA-N
XLogP4.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 17499037
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-nitrobenzenesulfonamide
CID 8816308
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 8816503
methyl 3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoate
CID 42888408
3-acetyl-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 9189330
2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
CID 24678420
3-methyl-2-oxo-N-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-1,3-benzoxazole-6-sulfonamide
CID 39983016
N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
N-(2,5-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051761
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide (CID 18279348) is 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide is Cc1ccc(C(NS(=O)(=O)c2cccc(Cl)c2)c2cccs2)cc1.
What is the InChIKey of 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The InChIKey is WAJZFYLXWYBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S2/c1-13-7-9-14(10-8-13)18(17-6-3-11-23-17)20-24(21,22)16-5-2-4-15(19)12-16/h2-12,18,20H,1H3.
What are the key properties of 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide has a molecular weight of 377.92 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide is sourced from PubChem (CID 18279348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).