4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide

C14H18ClN3O2S — CID 6499787

IUPAC4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H18ClN3O2S/c1-10-8-11(2)18(17-10)12(3)9-16-21(19,20)14-6-4-13(15)5-7-14/h4-8,12,16H,9H2,1-3H3
InChIKeyWEOISPQFBGUSRW-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.69
Rot. Bonds5

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

4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide (PubChem CID 6499787) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide
PubChem CID6499787
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H18ClN3O2S/c1-10-8-11(2)18(17-10)12(3)9-16-21(19,20)14-6-4-13(15)5-7-14/h4-8,12,16H,9H2,1-3H3
InChIKeyWEOISPQFBGUSRW-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
2,6-dichloro-N-(trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 8933447
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 24408582
N-(3-chlorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508670
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3306623
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 7677838
4-chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 8721869
4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
CID 11247085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide (CID 6499787) is 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide is Cc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is WEOISPQFBGUSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-10-8-11(2)18(17-10)12(3)9-16-21(19,20)14-6-4-13(15)5-7-14/h4-8,12,16H,9H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6499787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).