N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide

C18H21FN2O3S — CID 109061451

IUPACN-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-4-12-21(2)18(22)14-8-10-17(11-9-14)25(23,24)20-16-7-5-6-15(19)13-16/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyMFTSSTCZJDFTCG-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.50
Rot. Bonds7

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

N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 109061451) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID109061451
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-4-12-21(2)18(22)14-8-10-17(11-9-14)25(23,24)20-16-7-5-6-15(19)13-16/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyMFTSSTCZJDFTCG-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061461
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109060108
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
S-[2-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-oxoethyl] ethanethioate
CID 11689172
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide (CID 109061451) is N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is MFTSSTCZJDFTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-4-12-21(2)18(22)14-8-10-17(11-9-14)25(23,24)20-16-7-5-6-15(19)13-16/h5-11,13,20H,3-4,12H2,1-2H3.
What are the key properties of N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide?
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 3.50, 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-fluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109061451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).