N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide

C13H19ClN2O3S — CID 35709594

IUPACN-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H19ClN2O3S/c1-4-5-8-15-13(17)10-6-7-11(14)12(9-10)20(18,19)16(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyWWFHJOMNIMEOIZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.12
Rot. Bonds6

About N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide

N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide (PubChem CID 35709594) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
PubChem CID35709594
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H19ClN2O3S/c1-4-5-8-15-13(17)10-6-7-11(14)12(9-10)20(18,19)16(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyWWFHJOMNIMEOIZ-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
4-chloro-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-methylsulfonylbenzamide
CID 55963196
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
CID 97315366
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide (CID 35709594) is N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide is CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide?
The InChIKey is WWFHJOMNIMEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-5-8-15-13(17)10-6-7-11(14)12(9-10)20(18,19)16(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide?
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide has a molecular weight of 318.83 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 35709594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).