4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C13H16ClN3O2S — CID 19577768

IUPAC4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-10-11(8-15-17)9-16(2)20(18,19)13-6-4-12(14)5-7-13/h4-8,10H,3,9H2,1-2H3
InChIKeyMWKRMHPGWXAMNO-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.38
Rot. Bonds5

About 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 19577768) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID19577768
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-10-11(8-15-17)9-16(2)20(18,19)13-6-4-12(14)5-7-13/h4-8,10H,3,9H2,1-2H3
InChIKeyMWKRMHPGWXAMNO-UHFFFAOYSA-N
XLogP2.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide 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

1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
4-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 6873665
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204139
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
1-((4-chlorophenyl)methyl)-1H-pyrazole-4-sulfonyl chloride
CID 60912506
4-((1H-pyrazol-1-yl)methyl)-1-((3-chloro-2-methylphenyl)sulfonyl)piperidine
CID 71781203
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((3-chlorophenyl)sulfonyl)piperazine
CID 71783854
1-((3-chloro-2-methylphenyl)sulfonyl)-4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 86266980
4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062352
3,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062356

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 19577768) is 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is MWKRMHPGWXAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-3-17-10-11(8-15-17)9-16(2)20(18,19)13-6-4-12(14)5-7-13/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 19577768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).