1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea

C14H13ClN2O3S — CID 110774767

IUPAC1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)13-4-2-3-12(9-13)17-14(18)16-11-7-5-10(15)6-8-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyAHAWXCXNHGTVLW-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea

1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea (PubChem CID 110774767) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
PubChem CID110774767
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)13-4-2-3-12(9-13)17-14(18)16-11-7-5-10(15)6-8-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyAHAWXCXNHGTVLW-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 9071413
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
CID 123176042
CID 123176042
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
CID 9071253
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea (CID 110774767) is 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea is CS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea?
The InChIKey is AHAWXCXNHGTVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)13-4-2-3-12(9-13)17-14(18)16-11-7-5-10(15)6-8-11/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea?
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea has a molecular weight of 324.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea is sourced from PubChem (CID 110774767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).