N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide

C14H21ClN2O3S — CID 51166063

IUPACN-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
SMILESCCCCN(CC)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-4-6-9-17(5-2)14(18)12-10-11(7-8-13(12)15)21(19,20)16-3/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyUYPAJTVYBVZVNZ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.51
Rot. Bonds7

About N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide

N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide (PubChem CID 51166063) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
PubChem CID51166063
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
SMILESCCCCN(CC)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-4-6-9-17(5-2)14(18)12-10-11(7-8-13(12)15)21(19,20)16-3/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyUYPAJTVYBVZVNZ-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 55464922
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate
CID 55513995
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855605
N-butyl-2-chloro-N-ethyl-4-nitrobenzamide
CID 2290302
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide (CID 51166063) is N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide is CCCCN(CC)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is UYPAJTVYBVZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-6-9-17(5-2)14(18)12-10-11(7-8-13(12)15)21(19,20)16-3/h7-8,10,16H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide?
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 332.85 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51166063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).