N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide

C18H20F2N2O3S — CID 109061461

IUPACN-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-3-4-11-22(2)18(23)13-5-8-15(9-6-13)26(24,25)21-14-7-10-16(19)17(20)12-14/h5-10,12,21H,3-4,11H2,1-2H3
InChIKeyRIIGSCOZJNWRHD-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.64
Rot. Bonds7

About N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide

N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 109061461) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID109061461
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-3-4-11-22(2)18(23)13-5-8-15(9-6-13)26(24,25)21-14-7-10-16(19)17(20)12-14/h5-10,12,21H,3-4,11H2,1-2H3
InChIKeyRIIGSCOZJNWRHD-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
4-[(3,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058545
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 32905345
4-[(3,4-difluorophenyl)sulfonylamino]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619602
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide (CID 109061461) is N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is RIIGSCOZJNWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-3-4-11-22(2)18(23)13-5-8-15(9-6-13)26(24,25)21-14-7-10-16(19)17(20)12-14/h5-10,12,21H,3-4,11H2,1-2H3.
What are the key properties of N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide?
N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 382.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109061461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).