N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide

C19H18ClN3O2S — CID 163248322

IUPACN-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide
SMILESCC(C)=Cc1cn(-c2cccc(Cl)c2)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18ClN3O2S/c1-14(2)11-15-13-23(17-8-6-7-16(20)12-17)21-19(15)22-26(24,25)18-9-4-3-5-10-18/h3-13H,1-2H3,(H,21,22)
InChIKeyDXEGNPUIBIQQTE-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide

N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 163248322) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID163248322
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide
SMILESCC(C)=Cc1cn(-c2cccc(Cl)c2)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18ClN3O2S/c1-14(2)11-15-13-23(17-8-6-7-16(20)12-17)21-19(15)22-26(24,25)18-9-4-3-5-10-18/h3-13H,1-2H3,(H,21,22)
InChIKeyDXEGNPUIBIQQTE-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 163248350
N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
CID 57154308
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 163248619
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(3-chlorophenyl)-4-[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 75460493
methyl 3-[[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994607
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24504607
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide
CID 154337596

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide (CID 163248322) is N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide is CC(C)=Cc1cn(-c2cccc(Cl)c2)nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is DXEGNPUIBIQQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-14(2)11-15-13-23(17-8-6-7-16(20)12-17)21-19(15)22-26(24,25)18-9-4-3-5-10-18/h3-13H,1-2H3,(H,21,22).
What are the key properties of N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 163248322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).