N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide

C13H18N2O3S — CID 55258090

IUPACN-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCC1CC1CN(C)C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-9-6-11(9)8-15(2)13(16)10-4-3-5-12(7-10)19(14,17)18/h3-5,7,9,11H,6,8H2,1-2H3,(H2,14,17,18)
InChIKeyPUHVVHOMXAFTPN-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.06
Rot. Bonds4

About N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide

N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide (PubChem CID 55258090) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
PubChem CID55258090
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCC1CC1CN(C)C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-9-6-11(9)8-15(2)13(16)10-4-3-5-12(7-10)19(14,17)18/h3-5,7,9,11H,6,8H2,1-2H3,(H2,14,17,18)
InChIKeyPUHVVHOMXAFTPN-UHFFFAOYSA-N
XLogP1.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
CID 63858500
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
CID 107100990
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 65387721
N,N-dimethoxy-3-sulfamoylbenzamide
CID 54347456
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
N-ethyl-3-sulfamoylbenzamide
CID 43089872
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide (CID 55258090) is N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide is CC1CC1CN(C)C(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is PUHVVHOMXAFTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-6-11(9)8-15(2)13(16)10-4-3-5-12(7-10)19(14,17)18/h3-5,7,9,11H,6,8H2,1-2H3,(H2,14,17,18).
What are the key properties of N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 55258090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).