N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C16H13ClN2O3S2 — CID 155219690

IUPACN-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O3S2/c1-10-5-6-11(14-9-23-16(20)18-14)7-15(10)24(21,22)19-13-4-2-3-12(17)8-13/h2-9,19H,1H3,(H,18,20)
InChIKeyXNYWVNTUWIVJDS-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.87
Rot. Bonds4

About N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 155219690) has the molecular formula C16H13ClN2O3S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID155219690
Molecular FormulaC16H13ClN2O3S2
Molecular Weight380.88 g/mol
Exact Mass380.01
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O3S2/c1-10-5-6-11(14-9-23-16(20)18-14)7-15(10)24(21,22)19-13-4-2-3-12(17)8-13/h2-9,19H,1H3,(H,18,20)
InChIKeyXNYWVNTUWIVJDS-UHFFFAOYSA-N
XLogP3.87
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide
CID 23611882
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
CID 9163777
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 166185338
5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 46375065
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 155219690) is N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is Cc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is XNYWVNTUWIVJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S2/c1-10-5-6-11(14-9-23-16(20)18-14)7-15(10)24(21,22)19-13-4-2-3-12(17)8-13/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 380.88 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 155219690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).