N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide

C23H19ClN2O3S2 — CID 108784195

IUPACN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C23H19ClN2O3S2/c1-15-10-11-21(29-2)22(12-15)31(27,28)26-17-7-5-6-16(13-17)20-14-30-23(25-20)18-8-3-4-9-19(18)24/h3-14,26H,1-2H3
InChIKeyPYUYYZPJNDHNKG-UHFFFAOYSA-N
MW471.00 g/mol
LogP6.25
Rot. Bonds6

About N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 108784195) has the molecular formula C23H19ClN2O3S2 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID108784195
Molecular FormulaC23H19ClN2O3S2
Molecular Weight471.00 g/mol
Exact Mass470.05
IUPAC NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C23H19ClN2O3S2/c1-15-10-11-21(29-2)22(12-15)31(27,28)26-17-7-5-6-16(13-17)20-14-30-23(25-20)18-8-3-4-9-19(18)24/h3-14,26H,1-2H3
InChIKeyPYUYYZPJNDHNKG-UHFFFAOYSA-N
XLogP6.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 8517003
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
2-methoxy-5-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284192
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide (CID 108784195) is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is PYUYYZPJNDHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S2/c1-15-10-11-21(29-2)22(12-15)31(27,28)26-17-7-5-6-16(13-17)20-14-30-23(25-20)18-8-3-4-9-19(18)24/h3-14,26H,1-2H3.
What are the key properties of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 471.00 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 108784195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).