N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

C24H23FN2O3S — CID 34576472

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)c1
InChIInChI=1S/C24H23FN2O3S/c1-17-6-4-9-20(14-17)26-31(29,30)22-10-5-8-18(15-22)24(28)27(21-12-13-21)16-19-7-2-3-11-23(19)25/h2-11,14-15,21,26H,12-13,16H2,1H3
InChIKeyKWEAXOGXRFBQKB-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.74
Rot. Bonds7

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 34576472) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID34576472
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)c1
InChIInChI=1S/C24H23FN2O3S/c1-17-6-4-9-20(14-17)26-31(29,30)22-10-5-8-18(15-22)24(28)27(21-12-13-21)16-19-7-2-3-11-23(19)25/h2-11,14-15,21,26H,12-13,16H2,1H3
InChIKeyKWEAXOGXRFBQKB-UHFFFAOYSA-N
XLogP4.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9409340
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509866
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 34576472) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is KWEAXOGXRFBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-17-6-4-9-20(14-17)26-31(29,30)22-10-5-8-18(15-22)24(28)27(21-12-13-21)16-19-7-2-3-11-23(19)25/h2-11,14-15,21,26H,12-13,16H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 438.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 34576472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).