2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide

C13H17ClN2O3S — CID 63858500

IUPAC2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
SMILESCC1CC1CN(C)C(=O)c1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O3S/c1-8-6-9(8)7-16(2)13(17)12-10(14)4-3-5-11(12)20(15,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,15,18,19)
InChIKeyFRIWOXAGBPRRIM-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.72
Rot. Bonds4

About 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide

2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide (PubChem CID 63858500) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
PubChem CID63858500
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
SMILESCC1CC1CN(C)C(=O)c1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O3S/c1-8-6-9(8)7-16(2)13(17)12-10(14)4-3-5-11(12)20(15,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,15,18,19)
InChIKeyFRIWOXAGBPRRIM-UHFFFAOYSA-N
XLogP1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 63864539
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 55258090
5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 65387721
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
CID 107100990
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonamide
CID 115561055
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 63660756
6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 63862096
3-chloro-2-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 63661655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide (CID 63858500) is 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide is CC1CC1CN(C)C(=O)c1c(Cl)cccc1S(N)(=O)=O.
What is the InChIKey of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide?
The InChIKey is FRIWOXAGBPRRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-8-6-9(8)7-16(2)13(17)12-10(14)4-3-5-11(12)20(15,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide?
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide is sourced from PubChem (CID 63858500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).