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

C19H18ClN5O3S — CID 4803264

IUPAC1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1
InChIInChI=1S/C19H18ClN5O3S/c1-12-11-18(22-13(2)21-12)25-29(27,28)15-9-7-14(8-10-15)23-19(26)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,21,22,25)(H2,23,24,26)
InChIKeyARSLTDWRWPXDAX-UHFFFAOYSA-N
MW431.91 g/mol
LogP4.19
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea (PubChem CID 4803264) has the molecular formula C19H18ClN5O3S and a molecular weight of 431.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
PubChem CID4803264
Molecular FormulaC19H18ClN5O3S
Molecular Weight431.91 g/mol
Exact Mass431.08
IUPAC Name1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1
InChIInChI=1S/C19H18ClN5O3S/c1-12-11-18(22-13(2)21-12)25-29(27,28)15-9-7-14(8-10-15)23-19(26)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,21,22,25)(H2,23,24,26)
InChIKeyARSLTDWRWPXDAX-UHFFFAOYSA-N
XLogP4.19
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
3-(2,6-dichlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 4085162
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1291564
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 2206745
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 987078
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
(2S)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 40942018

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea (CID 4803264) is 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea?
The InChIKey is ARSLTDWRWPXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3S/c1-12-11-18(22-13(2)21-12)25-29(27,28)15-9-7-14(8-10-15)23-19(26)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,21,22,25)(H2,23,24,26).
What are the key properties of 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea?
1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea has a molecular weight of 431.91 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 4803264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).