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

C16H13Cl2N3O2S — CID 169372186

IUPACN-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cc(Cl)cn3)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-2-5-14(6-3-11)24(22,23)20-13-4-7-16(15(18)8-13)21-10-12(17)9-19-21/h2-10,20H,1H3
InChIKeyVPHJYATXOPUAKS-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.29
Rot. Bonds4

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

N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169372186) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169372186
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC NameN-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cc(Cl)cn3)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-2-5-14(6-3-11)24(22,23)20-13-4-7-16(15(18)8-13)21-10-12(17)9-19-21/h2-10,20H,1H3
InChIKeyVPHJYATXOPUAKS-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169372198
N-[4-hydroxy-3-(4-iodopyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 171618025
N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
CID 46834203
N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370719
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 169372186) is N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc(Cl)cn3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VPHJYATXOPUAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-11-2-5-14(6-3-11)24(22,23)20-13-4-7-16(15(18)8-13)21-10-12(17)9-19-21/h2-10,20H,1H3.
What are the key properties of N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).