N-butyl-3-chloro-5-sulfamoylbenzamide

C11H15ClN2O3S — CID 65374212

IUPACN-butyl-3-chloro-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-4-14-11(15)8-5-9(12)7-10(6-8)18(13,16)17/h5-7H,2-4H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyYOPYRJKTHGQGAB-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.52
Rot. Bonds5

About N-butyl-3-chloro-5-sulfamoylbenzamide

N-butyl-3-chloro-5-sulfamoylbenzamide (PubChem CID 65374212) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-butyl-3-chloro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-5-sulfamoylbenzamide
PubChem CID65374212
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-butyl-3-chloro-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-4-14-11(15)8-5-9(12)7-10(6-8)18(13,16)17/h5-7H,2-4H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyYOPYRJKTHGQGAB-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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Related Compounds

3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
CID 65386747
3-chloro-N-pent-4-ynyl-5-sulfamoylbenzamide
CID 106222478
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3,5-dichloro-N-propylbenzamide
CID 2767298
3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
CID 65379790
2-butoxyethyl 3-chloro-5-sulfamoylbenzoate
CID 65380469
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617
N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68610816
3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
CID 20787024

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-5-sulfamoylbenzamide?
The IUPAC name of N-butyl-3-chloro-5-sulfamoylbenzamide (CID 65374212) is N-butyl-3-chloro-5-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-3-chloro-5-sulfamoylbenzamide?
The canonical SMILES for N-butyl-3-chloro-5-sulfamoylbenzamide is CCCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-butyl-3-chloro-5-sulfamoylbenzamide?
The InChIKey is YOPYRJKTHGQGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-3-4-14-11(15)8-5-9(12)7-10(6-8)18(13,16)17/h5-7H,2-4H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-butyl-3-chloro-5-sulfamoylbenzamide?
N-butyl-3-chloro-5-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-3-chloro-5-sulfamoylbenzamide is sourced from PubChem (CID 65374212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).