N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

C17H16ClN3O2S — CID 169370933

IUPACN-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-12-3-9-16(10-4-12)24(22,23)20-14-5-7-15(8-6-14)21-17(18)11-13(2)19-21/h3-11,20H,1-2H3
InChIKeyDMDGTLXQQDPHHA-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.94
Rot. Bonds4

About N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370933) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370933
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-12-3-9-16(10-4-12)24(22,23)20-14-5-7-15(8-6-14)21-17(18)11-13(2)19-21/h3-11,20H,1-2H3
InChIKeyDMDGTLXQQDPHHA-UHFFFAOYSA-N
XLogP3.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371262
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
4-(5-amino-4-bromo-6-chlorobenzotriazol-2-yl)-N-(4-methylphenyl)benzenesulfonamide
CID 91679877
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 169370933) is N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3Cl)cc2)cc1.
What is the InChIKey of N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DMDGTLXQQDPHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-12-3-9-16(10-4-12)24(22,23)20-14-5-7-15(8-6-14)21-17(18)11-13(2)19-21/h3-11,20H,1-2H3.
What are the key properties of N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).