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

C22H17ClN2O2S2 — CID 122286270

IUPAC3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1Cl
InChIInChI=1S/C22H17ClN2O2S2/c1-15-10-11-19(13-20(15)23)29(26,27)25-18-9-5-8-17(12-18)21-14-28-22(24-21)16-6-3-2-4-7-16/h2-14,25H,1H3
InChIKeyJFCQHGPJHPFNFH-UHFFFAOYSA-N
MW440.98 g/mol
LogP6.24
Rot. Bonds5

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

3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 122286270) has the molecular formula C22H17ClN2O2S2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID122286270
Molecular FormulaC22H17ClN2O2S2
Molecular Weight440.98 g/mol
Exact Mass440.04
IUPAC Name3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1Cl
InChIInChI=1S/C22H17ClN2O2S2/c1-15-10-11-19(13-20(15)23)29(26,27)25-18-9-5-8-17(12-18)21-14-28-22(24-21)16-6-3-2-4-7-16/h2-14,25H,1H3
InChIKeyJFCQHGPJHPFNFH-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

3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372428
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
1,2-dimethyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286251
3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784254
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 108784276

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 122286270) is 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is JFCQHGPJHPFNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S2/c1-15-10-11-19(13-20(15)23)29(26,27)25-18-9-5-8-17(12-18)21-14-28-22(24-21)16-6-3-2-4-7-16/h2-14,25H,1H3.
What are the key properties of 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
3-chloro-4-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 3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122286270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).