3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide

C19H17FN4O3S — CID 78865460

IUPAC3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H17FN4O3S/c20-17-9-2-13(12-18(17)28(26,27)23-15-3-4-15)19(25)22-14-5-7-16(8-6-14)24-11-1-10-21-24/h1-2,5-12,15,23H,3-4H2,(H,22,25)
InChIKeyIIKXWHJZMSVKGW-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.70
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide

3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide (PubChem CID 78865460) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide
PubChem CID78865460
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H17FN4O3S/c20-17-9-2-13(12-18(17)28(26,27)23-15-3-4-15)19(25)22-14-5-7-16(8-6-14)24-11-1-10-21-24/h1-2,5-12,15,23H,3-4H2,(H,22,25)
InChIKeyIIKXWHJZMSVKGW-UHFFFAOYSA-N
XLogP2.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 4229680
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
tert-butyl 4-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 146301249
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
CID 5008740
1-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 75400072

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide (CID 78865460) is 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide?
The InChIKey is IIKXWHJZMSVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c20-17-9-2-13(12-18(17)28(26,27)23-15-3-4-15)19(25)22-14-5-7-16(8-6-14)24-11-1-10-21-24/h1-2,5-12,15,23H,3-4H2,(H,22,25).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide?
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide has a molecular weight of 400.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 78865460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).