2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide

C19H16F4N4O3S — CID 175573072

IUPAC2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-n1cc(C(F)C(F)F)cn1
InChIInChI=1S/C19H16F4N4O3S/c20-14-4-2-1-3-11(14)7-17(28)26-13-5-6-15(16(8-13)31(24,29)30)27-10-12(9-25-27)18(21)19(22)23/h1-6,8-10,18-19H,7H2,(H,26,28)(H2,24,29,30)
InChIKeyNAWKGLPFAGGZJA-UHFFFAOYSA-N
MW456.42 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide

2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 175573072) has the molecular formula C19H16F4N4O3S and a molecular weight of 456.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID175573072
Molecular FormulaC19H16F4N4O3S
Molecular Weight456.42 g/mol
Exact Mass456.09
IUPAC Name2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-n1cc(C(F)C(F)F)cn1
InChIInChI=1S/C19H16F4N4O3S/c20-14-4-2-1-3-11(14)7-17(28)26-13-5-6-15(16(8-13)31(24,29)30)27-10-12(9-25-27)18(21)19(22)23/h1-6,8-10,18-19H,7H2,(H,26,28)(H2,24,29,30)
InChIKeyNAWKGLPFAGGZJA-UHFFFAOYSA-N
XLogP3.12
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide
CID 142500015
2-[4-(aminomethyl)phenyl]-N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 174942864
N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 151538876
N-[4-[4-(3,3-difluoropropyl)pyrazol-1-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 158743261
2-(3-chloro-4-pyridinyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]acetamide;N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]-2-[4-(difluoromethyl)phenyl]acetamide
CID 161261892
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide
CID 176551637
2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
CID 159420717
5-[[2-(2-bromophenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinic acid
CID 163968896
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
N-[4-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16783462
5-[[2-(2-ethoxyphenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinate
CID 163848517

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide (CID 175573072) is 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-n1cc(C(F)C(F)F)cn1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is NAWKGLPFAGGZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O3S/c20-14-4-2-1-3-11(14)7-17(28)26-13-5-6-15(16(8-13)31(24,29)30)27-10-12(9-25-27)18(21)19(22)23/h1-6,8-10,18-19H,7H2,(H,26,28)(H2,24,29,30).
What are the key properties of 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 456.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 175573072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).