1-[(4-methylphenyl)sulfonylamino]-3-phenylurea

C14H15N3O3S — CID 5043250

IUPAC1-[(4-methylphenyl)sulfonylamino]-3-phenylurea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-11-7-9-13(10-8-11)21(19,20)17-16-14(18)15-12-5-3-2-4-6-12/h2-10,17H,1H3,(H2,15,16,18)
InChIKeyZZTIZZKLVOVNBX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.01
Rot. Bonds4

About 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea

1-[(4-methylphenyl)sulfonylamino]-3-phenylurea (PubChem CID 5043250) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylamino]-3-phenylurea
PubChem CID5043250
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-[(4-methylphenyl)sulfonylamino]-3-phenylurea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-11-7-9-13(10-8-11)21(19,20)17-16-14(18)15-12-5-3-2-4-6-12/h2-10,17H,1H3,(H2,15,16,18)
InChIKeyZZTIZZKLVOVNBX-UHFFFAOYSA-N
XLogP2.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.01
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

1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-
CID 726363
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(3,5-Dimethylphenyl)carbamoyl]amino}benzene-1-Sulfonamide
CID 27868075
1-(3-Fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]thiourea
CID 2725313
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649
1-(Benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
CID 118710598
1-[(4-Fluorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710599
1-[(4-Methylphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710602

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea?
The IUPAC name of 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea (CID 5043250) is 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea is Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea?
The InChIKey is ZZTIZZKLVOVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-11-7-9-13(10-8-11)21(19,20)17-16-14(18)15-12-5-3-2-4-6-12/h2-10,17H,1H3,(H2,15,16,18).
What are the key properties of 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea?
1-[(4-methylphenyl)sulfonylamino]-3-phenylurea has a molecular weight of 305.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylamino]-3-phenylurea is sourced from PubChem (CID 5043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).