N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide

C19H21FN2O3S — CID 118396943

IUPACN-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1
InChIInChI=1S/C19H21FN2O3S/c1-12(2)22-26(24,25)16-5-3-4-14(10-16)19(23)21-15-8-9-18(20)17(11-15)13-6-7-13/h3-5,8-13,22H,6-7H2,1-2H3,(H,21,23)
InChIKeyDPJZMBFCQNOESO-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.64
Rot. Bonds6

About N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 118396943) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID118396943
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1
InChIInChI=1S/C19H21FN2O3S/c1-12(2)22-26(24,25)16-5-3-4-14(10-16)19(23)21-15-8-9-18(20)17(11-15)13-6-7-13/h3-5,8-13,22H,6-7H2,1-2H3,(H,21,23)
InChIKeyDPJZMBFCQNOESO-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 118396943) is N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1.
What is the InChIKey of N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is DPJZMBFCQNOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-12(2)22-26(24,25)16-5-3-4-14(10-16)19(23)21-15-8-9-18(20)17(11-15)13-6-7-13/h3-5,8-13,22H,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-4-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 118396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).