N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

C18H18ClN3O2S — CID 169372823

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-12-8-10-15(11-9-12)25(23,24)21-16-6-4-5-7-17(16)22-14(3)18(19)13(2)20-22/h4-11,21H,1-3H3
InChIKeyZXBSQKXVKBGGCZ-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.25
Rot. Bonds4

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169372823) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169372823
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-12-8-10-15(11-9-12)25(23,24)21-16-6-4-5-7-17(16)22-14(3)18(19)13(2)20-22/h4-11,21H,1-3H3
InChIKeyZXBSQKXVKBGGCZ-UHFFFAOYSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 169372823) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-n2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZXBSQKXVKBGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-12-8-10-15(11-9-12)25(23,24)21-16-6-4-5-7-17(16)22-14(3)18(19)13(2)20-22/h4-11,21H,1-3H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).