5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide

C11H13ClN2O3S — CID 82891438

IUPAC5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC2CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H13ClN2O3S/c1-6-9(11(15)14-8-2-3-8)4-7(12)5-10(6)18(13,16)17/h4-5,8H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyKOCFTQSCERVIBT-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.19
Rot. Bonds3

About 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide

5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide (PubChem CID 82891438) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
PubChem CID82891438
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC2CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H13ClN2O3S/c1-6-9(11(15)14-8-2-3-8)4-7(12)5-10(6)18(13,16)17/h4-5,8H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyKOCFTQSCERVIBT-UHFFFAOYSA-N
XLogP1.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
CID 121222069
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
2-cyclobutylethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 106207164
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
CID 120600489
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide (CID 82891438) is 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)NC2CC2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide?
The InChIKey is KOCFTQSCERVIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-6-9(11(15)14-8-2-3-8)4-7(12)5-10(6)18(13,16)17/h4-5,8H,2-3H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide?
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide has a molecular weight of 288.76 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 82891438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).