N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide

C19H22F2N2O4S — CID 7948721

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C19H22F2N2O4S/c1-3-4-12-23(2)28(25,26)17-10-8-15(9-11-17)22-18(24)14-6-5-7-16(13-14)27-19(20)21/h5-11,13,19H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyWXNKBNNACHTIPV-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.96
Rot. Bonds9

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide (PubChem CID 7948721) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
PubChem CID7948721
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C19H22F2N2O4S/c1-3-4-12-23(2)28(25,26)17-10-8-15(9-11-17)22-18(24)14-6-5-7-16(13-14)27-19(20)21/h5-11,13,19H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyWXNKBNNACHTIPV-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698643
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7948730
3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide (CID 7948721) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide?
The InChIKey is WXNKBNNACHTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-3-4-12-23(2)28(25,26)17-10-8-15(9-11-17)22-18(24)14-6-5-7-16(13-14)27-19(20)21/h5-11,13,19H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide has a molecular weight of 412.46 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 7948721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).