[2-(acetamidocarbamoyl)phenyl]methanesulfonamide

C10H13N3O4S — CID 117058649

IUPAC[2-(acetamidocarbamoyl)phenyl]methanesulfonamide
SMILESCC(=O)NNC(=O)c1ccccc1CS(N)(=O)=O
InChIInChI=1S/C10H13N3O4S/c1-7(14)12-13-10(15)9-5-3-2-4-8(9)6-18(11,16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H2,11,16,17)
InChIKeyDVRZDRPGMKSYMJ-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.74
Rot. Bonds3

About [2-(acetamidocarbamoyl)phenyl]methanesulfonamide

[2-(acetamidocarbamoyl)phenyl]methanesulfonamide (PubChem CID 117058649) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is [2-(acetamidocarbamoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[2-(acetamidocarbamoyl)phenyl]methanesulfonamide
PubChem CID117058649
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name[2-(acetamidocarbamoyl)phenyl]methanesulfonamide
SMILESCC(=O)NNC(=O)c1ccccc1CS(N)(=O)=O
InChIInChI=1S/C10H13N3O4S/c1-7(14)12-13-10(15)9-5-3-2-4-8(9)6-18(11,16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H2,11,16,17)
InChIKeyDVRZDRPGMKSYMJ-UHFFFAOYSA-N
XLogP-0.74
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(acetamidocarbamoyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide
CID 118140975
tert-butyl N-[2-[2-(acetamidocarbamoyl)phenyl]ethyl]-N-methylcarbamate
CID 122153154
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
2-(phenoxymethyl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676056
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide
CID 114088219
2-(methylsulfonylmethyl)benzoyl chloride
CID 154112793
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
2-propylbenzohydrazide
CID 140653675
N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide
CID 1484336

Frequently Asked Questions

What is the IUPAC name of [2-(acetamidocarbamoyl)phenyl]methanesulfonamide?
The IUPAC name of [2-(acetamidocarbamoyl)phenyl]methanesulfonamide (CID 117058649) is [2-(acetamidocarbamoyl)phenyl]methanesulfonamide.
What is the SMILES notation for [2-(acetamidocarbamoyl)phenyl]methanesulfonamide?
The canonical SMILES for [2-(acetamidocarbamoyl)phenyl]methanesulfonamide is CC(=O)NNC(=O)c1ccccc1CS(N)(=O)=O.
What is the InChIKey of [2-(acetamidocarbamoyl)phenyl]methanesulfonamide?
The InChIKey is DVRZDRPGMKSYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-7(14)12-13-10(15)9-5-3-2-4-8(9)6-18(11,16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H2,11,16,17).
What are the key properties of [2-(acetamidocarbamoyl)phenyl]methanesulfonamide?
[2-(acetamidocarbamoyl)phenyl]methanesulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetamidocarbamoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 117058649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).