3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide

C13H18N2O4S — CID 86818841

IUPAC3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2CO)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)13(17)9-4-3-5-11(6-9)20(18,19)14-12-7-10(12)8-16/h3-6,10,12,14,16H,7-8H2,1-2H3
InChIKeyKSIWGRCZLCGKQE-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.05
Rot. Bonds5

About 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide

3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 86818841) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID86818841
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2CO)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)13(17)9-4-3-5-11(6-9)20(18,19)14-12-7-10(12)8-16/h3-6,10,12,14,16H,7-8H2,1-2H3
InChIKeyKSIWGRCZLCGKQE-UHFFFAOYSA-N
XLogP0.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
CID 114108471
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 99778846
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994662
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
CID 87024649
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 55258090

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide (CID 86818841) is 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2CO)c1.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is KSIWGRCZLCGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(2)13(17)9-4-3-5-11(6-9)20(18,19)14-12-7-10(12)8-16/h3-6,10,12,14,16H,7-8H2,1-2H3.
What are the key properties of 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide?
3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 86818841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).