2-(1-cyanoethylsulfonylamino)-N-methylbenzamide

C11H13N3O3S — CID 75438949

IUPAC2-(1-cyanoethylsulfonylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C11H13N3O3S/c1-8(7-12)18(16,17)14-10-6-4-3-5-9(10)11(15)13-2/h3-6,8,14H,1-2H3,(H,13,15)
InChIKeyIBNLHYOAYZFLLV-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.70
Rot. Bonds4

About 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide

2-(1-cyanoethylsulfonylamino)-N-methylbenzamide (PubChem CID 75438949) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-(1-cyanoethylsulfonylamino)-N-methylbenzamide
PubChem CID75438949
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-(1-cyanoethylsulfonylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C11H13N3O3S/c1-8(7-12)18(16,17)14-10-6-4-3-5-9(10)11(15)13-2/h3-6,8,14H,1-2H3,(H,13,15)
InChIKeyIBNLHYOAYZFLLV-UHFFFAOYSA-N
XLogP0.70
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminophenyl)sulfonylamino]-N-methylbenzamide
CID 43576281
3-(1-cyanoethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740574
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 26268701
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
N-methyl-2-(prop-2-ynylamino)benzamide
CID 130634693
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide
CID 65225738
2-(butan-2-ylsulfonylamino)benzoic acid
CID 70482313
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
CID 60721981
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide?
The IUPAC name of 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide (CID 75438949) is 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide.
What is the SMILES notation for 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide?
The canonical SMILES for 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide is CNC(=O)c1ccccc1NS(=O)(=O)C(C)C#N.
What is the InChIKey of 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide?
The InChIKey is IBNLHYOAYZFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8(7-12)18(16,17)14-10-6-4-3-5-9(10)11(15)13-2/h3-6,8,14H,1-2H3,(H,13,15).
What are the key properties of 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide?
2-(1-cyanoethylsulfonylamino)-N-methylbenzamide has a molecular weight of 267.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanoethylsulfonylamino)-N-methylbenzamide is sourced from PubChem (CID 75438949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).