1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea

C12H11ClN4O4S — CID 135426663

IUPAC1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea
SMILESCc1cc(=O)[nH]c(S(=O)(=O)NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN4O4S/c1-7-5-10(18)16-12(14-7)22(20,21)17-11(19)15-9-4-2-3-8(13)6-9/h2-6H,1H3,(H,14,16,18)(H2,15,17,19)
InChIKeyDTQNXDZXJCLOSE-UHFFFAOYSA-N
MW342.76 g/mol
LogP1.24
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea

1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea (PubChem CID 135426663) has the molecular formula C12H11ClN4O4S and a molecular weight of 342.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea
PubChem CID135426663
Molecular FormulaC12H11ClN4O4S
Molecular Weight342.76 g/mol
Exact Mass342.02
IUPAC Name1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea
SMILESCc1cc(=O)[nH]c(S(=O)(=O)NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN4O4S/c1-7-5-10(18)16-12(14-7)22(20,21)17-11(19)15-9-4-2-3-8(13)6-9/h2-6H,1H3,(H,14,16,18)(H2,15,17,19)
InChIKeyDTQNXDZXJCLOSE-UHFFFAOYSA-N
XLogP1.24
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135853449
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1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
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N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
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1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
CID 168763640
CID 168763640
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea (CID 135426663) is 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea is Cc1cc(=O)[nH]c(S(=O)(=O)NC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea?
The InChIKey is DTQNXDZXJCLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O4S/c1-7-5-10(18)16-12(14-7)22(20,21)17-11(19)15-9-4-2-3-8(13)6-9/h2-6H,1H3,(H,14,16,18)(H2,15,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea?
1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea has a molecular weight of 342.76 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea is sourced from PubChem (CID 135426663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).