N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C23H21FN2O3S — CID 139010906

IUPACN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN2O3S/c1-26(19-7-3-2-4-8-19)30(28,29)20-9-5-6-17(14-20)23(27)25-22-15-21(22)16-10-12-18(24)13-11-16/h2-14,21-22H,15H2,1H3,(H,25,27)/t21-,22+/m0/s1
InChIKeyLQHXEWYZWRTBCO-FCHUYYIVSA-N
MW424.50 g/mol
LogP3.94
Rot. Bonds6

About N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 139010906) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID139010906
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC NameN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN2O3S/c1-26(19-7-3-2-4-8-19)30(28,29)20-9-5-6-17(14-20)23(27)25-22-15-21(22)16-10-12-18(24)13-11-16/h2-14,21-22H,15H2,1H3,(H,25,27)/t21-,22+/m0/s1
InChIKeyLQHXEWYZWRTBCO-FCHUYYIVSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-(dimethylsulfamoyl)benzamide
CID 139010390
N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide
CID 139011561
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
3-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132667870
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 55699978
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 139010906) is N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is LQHXEWYZWRTBCO-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-26(19-7-3-2-4-8-19)30(28,29)20-9-5-6-17(14-20)23(27)25-22-15-21(22)16-10-12-18(24)13-11-16/h2-14,21-22H,15H2,1H3,(H,25,27)/t21-,22+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 139010906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).