3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide

C13H19ClN2O3S — CID 65386747

IUPAC3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
SMILESCC(C)CCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O3S/c1-9(2)4-3-5-16-13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyXAKCKMSGCBLWFG-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.15
Rot. Bonds6

About 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide

3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide (PubChem CID 65386747) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
PubChem CID65386747
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
SMILESCC(C)CCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O3S/c1-9(2)4-3-5-16-13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyXAKCKMSGCBLWFG-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
3-chloro-N-pent-4-ynyl-5-sulfamoylbenzamide
CID 106222478
3-fluoro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65398193
3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
CID 65379790
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
3-chloro-2-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396843
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 113287469
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide (CID 65386747) is 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide is CC(C)CCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide?
The InChIKey is XAKCKMSGCBLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(2)4-3-5-16-13(17)10-6-11(14)8-12(7-10)20(15,18)19/h6-9H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide?
3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65386747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).