1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea

C17H14ClN3O4S — CID 110402562

IUPAC1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2oncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O4S/c1-11-2-8-14(9-3-11)26(23,24)21-17(22)20-16-15(10-19-25-16)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,20,21,22)
InChIKeyYXMQISZZQUHPKE-UHFFFAOYSA-N
MW391.84 g/mol
LogP3.81
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea

1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110402562) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110402562
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2oncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O4S/c1-11-2-8-14(9-3-11)26(23,24)21-17(22)20-16-15(10-19-25-16)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,20,21,22)
InChIKeyYXMQISZZQUHPKE-UHFFFAOYSA-N
XLogP3.81
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110402543
3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
CID 110402559
4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402619
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 110643598
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea (CID 110402562) is 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2oncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is YXMQISZZQUHPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-11-2-8-14(9-3-11)26(23,24)21-17(22)20-16-15(10-19-25-16)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 391.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110402562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).