N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C17H14ClFN2O3S2 — CID 20974307

IUPACN-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O3S2/c1-10-20-15(9-25-10)11-3-6-16(24-2)17(7-11)26(22,23)21-12-4-5-14(19)13(18)8-12/h3-9,21H,1-2H3
InChIKeyURZREDQECMGTRY-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.72
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 20974307) has the molecular formula C17H14ClFN2O3S2 and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID20974307
Molecular FormulaC17H14ClFN2O3S2
Molecular Weight412.90 g/mol
Exact Mass412.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O3S2/c1-10-20-15(9-25-10)11-3-6-16(24-2)17(7-11)26(22,23)21-12-4-5-14(19)13(18)8-12/h3-9,21H,1-2H3
InChIKeyURZREDQECMGTRY-UHFFFAOYSA-N
XLogP4.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 108784195
N-(2-chloro-4,6-dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53117901
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117943

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 20974307) is N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is URZREDQECMGTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S2/c1-10-20-15(9-25-10)11-3-6-16(24-2)17(7-11)26(22,23)21-12-4-5-14(19)13(18)8-12/h3-9,21H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 20974307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).