N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide

C20H18F3N3O4S — CID 67559908

IUPACN-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide
SMILESCCC(=O)N(n1nc(C(F)F)cc1-c1ccc(OC)c(F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18F3N3O4S/c1-3-19(27)26(31(28,29)14-7-5-4-6-8-14)25-17(12-16(24-25)20(22)23)13-9-10-18(30-2)15(21)11-13/h4-12,20H,3H2,1-2H3
InChIKeyICMKHPLCIZQLEB-UHFFFAOYSA-N
MW453.44 g/mol
LogP3.90
Rot. Bonds7

About N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide

N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide (PubChem CID 67559908) has the molecular formula C20H18F3N3O4S and a molecular weight of 453.44 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide
PubChem CID67559908
Molecular FormulaC20H18F3N3O4S
Molecular Weight453.44 g/mol
Exact Mass453.10
IUPAC NameN-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide
SMILESCCC(=O)N(n1nc(C(F)F)cc1-c1ccc(OC)c(F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18F3N3O4S/c1-3-19(27)26(31(28,29)14-7-5-4-6-8-14)25-17(12-16(24-25)20(22)23)13-9-10-18(30-2)15(21)11-13/h4-12,20H,3H2,1-2H3
InChIKeyICMKHPLCIZQLEB-UHFFFAOYSA-N
XLogP3.90
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide 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

lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide
CID 23690247
benzenesulfonamide;N-[3-cyano-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide;N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 70291920
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
N-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594962
N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594851
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
CID 23367300
2-[5-(3-bromo-4-methoxyphenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662320
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 54316485
1-benzyl-5-(difluoromethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazole
CID 56978791
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 141361157

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide (CID 67559908) is N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide is CCC(=O)N(n1nc(C(F)F)cc1-c1ccc(OC)c(F)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide?
The InChIKey is ICMKHPLCIZQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S/c1-3-19(27)26(31(28,29)14-7-5-4-6-8-14)25-17(12-16(24-25)20(22)23)13-9-10-18(30-2)15(21)11-13/h4-12,20H,3H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide?
N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide has a molecular weight of 453.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 67559908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).