2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide

C13H18Cl2N2O3S — CID 63297293

IUPAC2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-5-8(4-2)17-13(18)9-6-12(21(16,19)20)11(15)7-10(9)14/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyLWVGTORPHHMSTB-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.95
Rot. Bonds6

About 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide

2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide (PubChem CID 63297293) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
PubChem CID63297293
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-5-8(4-2)17-13(18)9-6-12(21(16,19)20)11(15)7-10(9)14/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyLWVGTORPHHMSTB-UHFFFAOYSA-N
XLogP2.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370659
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
CID 81479852
3-chloro-5-(hexan-3-ylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 107100658
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide (CID 63297293) is 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide is CCCC(CC)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide?
The InChIKey is LWVGTORPHHMSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-3-5-8(4-2)17-13(18)9-6-12(21(16,19)20)11(15)7-10(9)14/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide?
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide has a molecular weight of 353.27 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 63297293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).