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

C18H20ClFN2O3S — CID 109065518

IUPACN-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-3-4-10-22(2)18(23)13-6-5-7-15(11-13)26(24,25)21-14-8-9-17(20)16(19)12-14/h5-9,11-12,21H,3-4,10H2,1-2H3
InChIKeyXNWOFRFGILOOJY-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.15
Rot. Bonds7

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

N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 109065518) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID109065518
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-3-4-10-22(2)18(23)13-6-5-7-15(11-13)26(24,25)21-14-8-9-17(20)16(19)12-14/h5-9,11-12,21H,3-4,10H2,1-2H3
InChIKeyXNWOFRFGILOOJY-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061461
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
N-tert-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]benzamide
CID 109065192
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide (CID 109065518) is N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is XNWOFRFGILOOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-3-4-10-22(2)18(23)13-6-5-7-15(11-13)26(24,25)21-14-8-9-17(20)16(19)12-14/h5-9,11-12,21H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109065518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).