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

C22H17ClN2O2S2 — CID 122286211

IUPAC5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H17ClN2O2S2/c1-15-10-11-18(23)13-21(15)29(26,27)25-19-9-5-8-17(12-19)20-14-28-22(24-20)16-6-3-2-4-7-16/h2-14,25H,1H3
InChIKeyCFRHGGQFYFIKAM-UHFFFAOYSA-N
MW440.98 g/mol
LogP6.24
Rot. Bonds5

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

5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 122286211) has the molecular formula C22H17ClN2O2S2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID122286211
Molecular FormulaC22H17ClN2O2S2
Molecular Weight440.98 g/mol
Exact Mass440.04
IUPAC Name5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H17ClN2O2S2/c1-15-10-11-18(23)13-21(15)29(26,27)25-19-9-5-8-17(12-19)20-14-28-22(24-20)16-6-3-2-4-7-16/h2-14,25H,1H3
InChIKeyCFRHGGQFYFIKAM-UHFFFAOYSA-N
XLogP6.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
1,2-dimethyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286251
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 108784195
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372428

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 122286211) is 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is CFRHGGQFYFIKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S2/c1-15-10-11-18(23)13-21(15)29(26,27)25-19-9-5-8-17(12-19)20-14-28-22(24-20)16-6-3-2-4-7-16/h2-14,25H,1H3.
What are the key properties of 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 440.98 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122286211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).