2-[(2-methylphenyl)sulfonylamino]ethylurea

C10H15N3O3S — CID 83118355

IUPAC2-[(2-methylphenyl)sulfonylamino]ethylurea
SMILESCc1ccccc1S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C10H15N3O3S/c1-8-4-2-3-5-9(8)17(15,16)13-7-6-12-10(11)14/h2-5,13H,6-7H2,1H3,(H3,11,12,14)
InChIKeySIJKBGZVRBWMRO-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.06
Rot. Bonds5

About 2-[(2-methylphenyl)sulfonylamino]ethylurea

2-[(2-methylphenyl)sulfonylamino]ethylurea (PubChem CID 83118355) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(2-methylphenyl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(2-methylphenyl)sulfonylamino]ethylurea
PubChem CID83118355
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(2-methylphenyl)sulfonylamino]ethylurea
SMILESCc1ccccc1S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C10H15N3O3S/c1-8-4-2-3-5-9(8)17(15,16)13-7-6-12-10(11)14/h2-5,13H,6-7H2,1H3,(H3,11,12,14)
InChIKeySIJKBGZVRBWMRO-UHFFFAOYSA-N
XLogP-0.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-methylphenyl)sulfonylamino]ethylurea 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-methylphenyl)sulfonylurea
CID 20975378
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-[(2-methylphenyl)sulfonylamino]ethyl 2-methylbenzenesulfonate
CID 86744340
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(2-methylphenyl)sulfonylamino]ethylurea (CID 83118355) is 2-[(2-methylphenyl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(2-methylphenyl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(2-methylphenyl)sulfonylamino]ethylurea is Cc1ccccc1S(=O)(=O)NCCNC(N)=O.
What is the InChIKey of 2-[(2-methylphenyl)sulfonylamino]ethylurea?
The InChIKey is SIJKBGZVRBWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-4-2-3-5-9(8)17(15,16)13-7-6-12-10(11)14/h2-5,13H,6-7H2,1H3,(H3,11,12,14).
What are the key properties of 2-[(2-methylphenyl)sulfonylamino]ethylurea?
2-[(2-methylphenyl)sulfonylamino]ethylurea has a molecular weight of 257.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)sulfonylamino]ethylurea is sourced from PubChem (CID 83118355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).