N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide

C13H19ClN2O3S — CID 82890834

IUPACN-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19ClN2O3S/c1-4-5-6-16(3)13(17)11-7-10(14)8-12(9(11)2)20(15,18)19/h7-8H,4-6H2,1-3H3,(H2,15,18,19)
InChIKeyCIUMHXLQSOQKNZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.17
Rot. Bonds5

About N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide

N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide (PubChem CID 82890834) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
PubChem CID82890834
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19ClN2O3S/c1-4-5-6-16(3)13(17)11-7-10(14)8-12(9(11)2)20(15,18)19/h7-8H,4-6H2,1-3H3,(H2,15,18,19)
InChIKeyCIUMHXLQSOQKNZ-UHFFFAOYSA-N
XLogP2.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide?
The IUPAC name of N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide (CID 82890834) is N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide?
The canonical SMILES for N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide is CCCCN(C)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide?
The InChIKey is CIUMHXLQSOQKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-5-6-16(3)13(17)11-7-10(14)8-12(9(11)2)20(15,18)19/h7-8H,4-6H2,1-3H3,(H2,15,18,19).
What are the key properties of N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide?
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 82890834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).