4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

C18H18ClN3O2S — CID 22205191

IUPAC4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)c(C)cc1Cl
InChIInChI=1S/C18H18ClN3O2S/c1-13-11-18(14(2)10-17(13)19)25(23,24)21-12-15-4-6-16(7-5-15)22-9-3-8-20-22/h3-11,21H,12H2,1-2H3
InChIKeyRLLSJEUZHKZTKX-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.62
Rot. Bonds5

About 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 22205191) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID22205191
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)c(C)cc1Cl
InChIInChI=1S/C18H18ClN3O2S/c1-13-11-18(14(2)10-17(13)19)25(23,24)21-12-15-4-6-16(7-5-15)22-9-3-8-20-22/h3-11,21H,12H2,1-2H3
InChIKeyRLLSJEUZHKZTKX-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22207915
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876708
2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 25041194
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
7-fluoro-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55905577
4-chloro-2,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207405
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
1-(3,4-dichlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 56581685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (CID 22205191) is 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is RLLSJEUZHKZTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-13-11-18(14(2)10-17(13)19)25(23,24)21-12-15-4-6-16(7-5-15)22-9-3-8-20-22/h3-11,21H,12H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 22205191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).