3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C15H12ClFN2O2S3 — CID 71795454

IUPAC3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O2S3/c1-9-14(23-15(19-9)13-3-2-6-22-13)8-18-24(20,21)10-4-5-12(17)11(16)7-10/h2-7,18H,8H2,1H3
InChIKeyYHXCXARLCHHEBG-UHFFFAOYSA-N
MW402.93 g/mol
LogP4.45
Rot. Bonds5

About 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 71795454) has the molecular formula C15H12ClFN2O2S3 and a molecular weight of 402.93 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID71795454
Molecular FormulaC15H12ClFN2O2S3
Molecular Weight402.93 g/mol
Exact Mass401.97
IUPAC Name3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O2S3/c1-9-14(23-15(19-9)13-3-2-6-22-13)8-18-24(20,21)10-4-5-12(17)11(16)7-10/h2-7,18H,8H2,1H3
InChIKeyYHXCXARLCHHEBG-UHFFFAOYSA-N
XLogP4.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 2744075
1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121873
2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121789
3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121985
3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122441
2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121796
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123355
1-(3-methylphenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121878
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]naphthalene-2-sulfonamide
CID 121123387
4-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 121123906
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 71795454) is 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is YHXCXARLCHHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S3/c1-9-14(23-15(19-9)13-3-2-6-22-13)8-18-24(20,21)10-4-5-12(17)11(16)7-10/h2-7,18H,8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 402.93 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71795454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).