3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

C20H20ClN3O3S — CID 16575175

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-14-20(15(2)24(23-14)17-6-4-3-5-7-17)22-19(25)12-13-28(26,27)18-10-8-16(21)9-11-18/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyIGUHAIULSCNILR-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.95
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (PubChem CID 16575175) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
PubChem CID16575175
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-14-20(15(2)24(23-14)17-6-4-3-5-7-17)22-19(25)12-13-28(26,27)18-10-8-16(21)9-11-18/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyIGUHAIULSCNILR-UHFFFAOYSA-N
XLogP3.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium
CID 9334966
3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
CID 18076703
2-(4-chloro-2-fluoroanilino)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26508445
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55481941

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (CID 16575175) is 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The InChIKey is IGUHAIULSCNILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-14-20(15(2)24(23-14)17-6-4-3-5-7-17)22-19(25)12-13-28(26,27)18-10-8-16(21)9-11-18/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide has a molecular weight of 417.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 16575175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).