1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea

C16H19N3O3S — CID 2815701

IUPAC1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyGRIAZRCYPXFJJF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea

1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2815701) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID2815701
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyGRIAZRCYPXFJJF-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea (CID 2815701) is 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is GRIAZRCYPXFJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea?
1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 333.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2815701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).