1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea

C19H19N5O3S — CID 4563892

IUPAC1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C19H19N5O3S/c1-13-12-18(21-14(2)20-13)24-28(26,27)17-10-8-16(9-11-17)23-19(25)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21,24)(H2,22,23,25)
InChIKeyZSSNMDMTVJSLSO-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.54
Rot. Bonds5

About 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea

1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea (PubChem CID 4563892) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
PubChem CID4563892
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C19H19N5O3S/c1-13-12-18(21-14(2)20-13)24-28(26,27)17-10-8-16(9-11-17)23-19(25)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21,24)(H2,22,23,25)
InChIKeyZSSNMDMTVJSLSO-UHFFFAOYSA-N
XLogP3.54
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 4803264
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 987078
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
(2S)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 40942018
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
3-(2,6-dichlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 4085162

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea (CID 4563892) is 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea?
The InChIKey is ZSSNMDMTVJSLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-13-12-18(21-14(2)20-13)24-28(26,27)17-10-8-16(9-11-17)23-19(25)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21,24)(H2,22,23,25).
What are the key properties of 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea?
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea has a molecular weight of 397.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 4563892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).