2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide

C19H20ClFN2O3S — CID 55593568

IUPAC2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccc(F)c2)C2CC2)c1
InChIInChI=1S/C19H20ClFN2O3S/c1-22(2)27(25,26)16-8-9-18(20)17(11-16)19(24)23(15-6-7-15)12-13-4-3-5-14(21)10-13/h3-5,8-11,15H,6-7,12H2,1-2H3
InChIKeyXUVKPMIGRBCIKL-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.53
Rot. Bonds6

About 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide

2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 55593568) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID55593568
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccc(F)c2)C2CC2)c1
InChIInChI=1S/C19H20ClFN2O3S/c1-22(2)27(25,26)16-8-9-18(20)17(11-16)19(24)23(15-6-7-15)12-13-4-3-5-14(21)10-13/h3-5,8-11,15H,6-7,12H2,1-2H3
InChIKeyXUVKPMIGRBCIKL-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
5-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methoxybenzamide
CID 112817196
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
3-chloro-N-[[3-[4-(dimethylsulfamoyl)phenyl]phenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 71097419
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
5-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625209
4-chloro-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 3971175
2-chloro-5-(dimethylsulfamoyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzamide
CID 8501587
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide (CID 55593568) is 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccc(F)c2)C2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is XUVKPMIGRBCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-22(2)27(25,26)16-8-9-18(20)17(11-16)19(24)23(15-6-7-15)12-13-4-3-5-14(21)10-13/h3-5,8-11,15H,6-7,12H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide?
2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 410.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 55593568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).