1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea

C15H16ClN3O3S — CID 24819123

IUPAC1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
SMILESCc1ccc(C)c(S(=O)(=O)NNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClN3O3S/c1-10-7-8-11(2)14(9-10)23(21,22)19-18-15(20)17-13-6-4-3-5-12(13)16/h3-9,19H,1-2H3,(H2,17,18,20)
InChIKeySFAGQTVRERNIRP-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea

1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea (PubChem CID 24819123) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
PubChem CID24819123
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
SMILESCc1ccc(C)c(S(=O)(=O)NNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClN3O3S/c1-10-7-8-11(2)14(9-10)23(21,22)19-18-15(20)17-13-6-4-3-5-12(13)16/h3-9,19H,1-2H3,(H2,17,18,20)
InChIKeySFAGQTVRERNIRP-UHFFFAOYSA-N
XLogP2.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
tert-butyl N-[(2,5-dimethylphenyl)sulfonylamino]carbamate
CID 8500958
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
CID 8523585

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea (CID 24819123) is 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea is Cc1ccc(C)c(S(=O)(=O)NNC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea?
The InChIKey is SFAGQTVRERNIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-10-7-8-11(2)14(9-10)23(21,22)19-18-15(20)17-13-6-4-3-5-12(13)16/h3-9,19H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea?
1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea has a molecular weight of 353.83 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea is sourced from PubChem (CID 24819123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).