N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride

C9H13ClN2O3S — CID 90425402

IUPACN-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C9H12N2O3S.ClH/c1-10-7-9(12)11-15(13,14)8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,11,12);1H
InChIKeyJNXDGKYZYLPJAI-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.13
Rot. Bonds4

About N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride

N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 90425402) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID90425402
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC NameN-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C9H12N2O3S.ClH/c1-10-7-9(12)11-15(13,14)8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,11,12);1H
InChIKeyJNXDGKYZYLPJAI-UHFFFAOYSA-N
XLogP0.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N-(benzenesulfonyl)-2-(4-hydroxyphenyl)acetamide
CID 139754141
methyl N-(benzenesulfonyl)carbamate
CID 676519
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride (CID 90425402) is N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is JNXDGKYZYLPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S.ClH/c1-10-7-9(12)11-15(13,14)8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,11,12);1H.
What are the key properties of N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride?
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 264.73 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 90425402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).