N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C19H20ClN3O2S — CID 7997064

IUPACN-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20ClN3O2S/c1-15(2)23-19(12-13-21-23)22(14-16-8-10-17(20)11-9-16)26(24,25)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3
InChIKeyGEZJJGFYLSJLGP-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.51
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 7997064) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID7997064
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20ClN3O2S/c1-15(2)23-19(12-13-21-23)22(14-16-8-10-17(20)11-9-16)26(24,25)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3
InChIKeyGEZJJGFYLSJLGP-UHFFFAOYSA-N
XLogP4.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)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,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
N-[(4-bromophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 16251566
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-methylpyrazol-3-yl)amino]acetamide
CID 44439629
N-[(4-chlorophenyl)methyl]-2-[(2-ethylpyrazol-3-yl)-(4-methylphenyl)sulfonylamino]acetamide
CID 44439630
4-[5-[(E)-(4-chlorophenyl)methylideneamino]-4-cyanopyrazol-1-yl]benzenesulfonamide
CID 155532032
N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-4-methylbenzenesulfonamide
CID 2813989
4-Allyl-N-methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10948187
4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-N-propyl-benzenesulfonamide
CID 44346781
N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 4825978
Ethinyl-pyrazole derivative 3
CID 56642739
4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-methylbenzenesulfonamide
CID 57551227
4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 66776206

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 7997064) is N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(C)n1nccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is GEZJJGFYLSJLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-15(2)23-19(12-13-21-23)22(14-16-8-10-17(20)11-9-16)26(24,25)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 7997064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).