3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide

C11H15ClN2O3S — CID 65375338

IUPAC3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCNC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O3S/c1-3-4-14-11(15)8-5-9(12)7(2)10(6-8)18(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySIOQORVFFAXHJF-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.44
Rot. Bonds4

About 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide

3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 65375338) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
PubChem CID65375338
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCNC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O3S/c1-3-4-14-11(15)8-5-9(12)7(2)10(6-8)18(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySIOQORVFFAXHJF-UHFFFAOYSA-N
XLogP1.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
3-chloro-2-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396843

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide (CID 65375338) is 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide is CCCNC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is SIOQORVFFAXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-4-14-11(15)8-5-9(12)7(2)10(6-8)18(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide?
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 290.77 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).