5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide

C12H15ClN2O3S — CID 82890908

IUPAC5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC2CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C12H15ClN2O3S/c1-7-10(12(16)15-6-8-2-3-8)4-9(13)5-11(7)19(14,17)18/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyFZMBKNIGANPMFZ-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.44
Rot. Bonds4

About 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide

5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide (PubChem CID 82890908) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
PubChem CID82890908
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC2CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C12H15ClN2O3S/c1-7-10(12(16)15-6-8-2-3-8)4-9(13)5-11(7)19(14,17)18/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyFZMBKNIGANPMFZ-UHFFFAOYSA-N
XLogP1.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
2-cyclobutylethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 106207164
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide (CID 82890908) is 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)NCC2CC2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide?
The InChIKey is FZMBKNIGANPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-7-10(12(16)15-6-8-2-3-8)4-9(13)5-11(7)19(14,17)18/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide?
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide has a molecular weight of 302.78 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 5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 82890908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).