N-butyl-4-chloro-3-sulfamoylbenzamide

C11H15ClN2O3S — CID 47101183

IUPACN-butyl-4-chloro-3-sulfamoylbenzamide
SMILESCCCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-6-14-11(15)8-4-5-9(12)10(7-8)18(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyPCJFYFWNCCTWNI-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.52
Rot. Bonds5

About N-butyl-4-chloro-3-sulfamoylbenzamide

N-butyl-4-chloro-3-sulfamoylbenzamide (PubChem CID 47101183) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-butyl-4-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-3-sulfamoylbenzamide
PubChem CID47101183
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-butyl-4-chloro-3-sulfamoylbenzamide
SMILESCCCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-6-14-11(15)8-4-5-9(12)10(7-8)18(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyPCJFYFWNCCTWNI-UHFFFAOYSA-N
XLogP1.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-3-sulfamoylbenzamide?
The IUPAC name of N-butyl-4-chloro-3-sulfamoylbenzamide (CID 47101183) is N-butyl-4-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-4-chloro-3-sulfamoylbenzamide?
The canonical SMILES for N-butyl-4-chloro-3-sulfamoylbenzamide is CCCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of N-butyl-4-chloro-3-sulfamoylbenzamide?
The InChIKey is PCJFYFWNCCTWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-3-6-14-11(15)8-4-5-9(12)10(7-8)18(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-butyl-4-chloro-3-sulfamoylbenzamide?
N-butyl-4-chloro-3-sulfamoylbenzamide has a molecular weight of 290.77 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-3-sulfamoylbenzamide is sourced from PubChem (CID 47101183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).