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

C18H15F2NO2S2 — CID 17499037

IUPAC3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccc(F)c(F)c2)c2cccs2)cc1
InChIInChI=1S/C18H15F2NO2S2/c1-12-4-6-13(7-5-12)18(17-3-2-10-24-17)21-25(22,23)14-8-9-15(19)16(20)11-14/h2-11,18,21H,1H3
InChIKeyUXFWOFBHESLUKF-UHFFFAOYSA-N
MW379.45 g/mol
LogP4.40
Rot. Bonds5

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

3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide (PubChem CID 17499037) has the molecular formula C18H15F2NO2S2 and a molecular weight of 379.45 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
PubChem CID17499037
Molecular FormulaC18H15F2NO2S2
Molecular Weight379.45 g/mol
Exact Mass379.05
IUPAC Name3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccc(F)c(F)c2)c2cccs2)cc1
InChIInChI=1S/C18H15F2NO2S2/c1-12-4-6-13(7-5-12)18(17-3-2-10-24-17)21-25(22,23)14-8-9-15(19)16(20)11-14/h2-11,18,21H,1H3
InChIKeyUXFWOFBHESLUKF-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 18279348
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-nitrobenzenesulfonamide
CID 8816308
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
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
3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 40738951
3-methyl-2-oxo-N-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-1,3-benzoxazole-6-sulfonamide
CID 39983016
3-acetyl-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 9189330
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide (CID 17499037) is 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide is Cc1ccc(C(NS(=O)(=O)c2ccc(F)c(F)c2)c2cccs2)cc1.
What is the InChIKey of 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The InChIKey is UXFWOFBHESLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2S2/c1-12-4-6-13(7-5-12)18(17-3-2-10-24-17)21-25(22,23)14-8-9-15(19)16(20)11-14/h2-11,18,21H,1H3.
What are the key properties of 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide is sourced from PubChem (CID 17499037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).