2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C17H16ClFN2O3S — CID 27537238

IUPAC2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C17H16ClFN2O3S/c1-21(13-6-2-11(19)3-7-13)25(23,24)14-8-9-16(18)15(10-14)17(22)20-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,20,22)
InChIKeyYUBFEDNPNPEXAC-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.20
Rot. Bonds5

About 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 27537238) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID27537238
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C17H16ClFN2O3S/c1-21(13-6-2-11(19)3-7-13)25(23,24)14-8-9-16(18)15(10-14)17(22)20-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,20,22)
InChIKeyYUBFEDNPNPEXAC-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 27537238) is 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is YUBFEDNPNPEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-21(13-6-2-11(19)3-7-13)25(23,24)14-8-9-16(18)15(10-14)17(22)20-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide has a molecular weight of 382.84 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 27537238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).