N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide

C18H19FN2O4S — CID 97193513

IUPACN-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide
SMILESO=C(NC1CC1)c1cccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-5-1-3-12(9-14)17(22)11-20-26(24,25)16-6-2-4-13(10-16)18(23)21-15-7-8-15/h1-6,9-10,15,17,20,22H,7-8,11H2,(H,21,23)/t17-/m1/s1
InChIKeyAMNYEUHKXGFNOT-QGZVFWFLSA-N
MW378.43 g/mol
LogP1.73
Rot. Bonds7

About N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide

N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide (PubChem CID 97193513) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide
PubChem CID97193513
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide
SMILESO=C(NC1CC1)c1cccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-5-1-3-12(9-14)17(22)11-20-26(24,25)16-6-2-4-13(10-16)18(23)21-15-7-8-15/h1-6,9-10,15,17,20,22H,7-8,11H2,(H,21,23)/t17-/m1/s1
InChIKeyAMNYEUHKXGFNOT-QGZVFWFLSA-N
XLogP1.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
N-cyclopropyl-3-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109062324
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
3-[2-(3-chlorophenyl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109062317
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide (CID 97193513) is N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide is O=C(NC1CC1)c1cccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide?
The InChIKey is AMNYEUHKXGFNOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-14-5-1-3-12(9-14)17(22)11-20-26(24,25)16-6-2-4-13(10-16)18(23)21-15-7-8-15/h1-6,9-10,15,17,20,22H,7-8,11H2,(H,21,23)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide?
N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide is sourced from PubChem (CID 97193513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).