1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea

C19H16ClN3O3S — CID 142392133

IUPAC1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C19H16ClN3O3S/c1-27(25,26)15-8-9-18(16(20)12-15)23-19(24)22-14-6-4-5-13(11-14)17-7-2-3-10-21-17/h2-12H,1H3,(H2,22,23,24)
InChIKeySZGBCDMNASONMB-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea

1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea (PubChem CID 142392133) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea
PubChem CID142392133
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C19H16ClN3O3S/c1-27(25,26)15-8-9-18(16(20)12-15)23-19(24)22-14-6-4-5-13(11-14)17-7-2-3-10-21-17/h2-12H,1H3,(H2,22,23,24)
InChIKeySZGBCDMNASONMB-UHFFFAOYSA-N
XLogP4.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392099
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797434
4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70797526
4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797255
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767
5-chloro-N-(3-pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 142392244
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
3-chloro-4-(pyridin-3-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
CID 45156234
2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 74763767

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea?
The IUPAC name of 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea (CID 142392133) is 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea?
The canonical SMILES for 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea is CS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea?
The InChIKey is SZGBCDMNASONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-27(25,26)15-8-9-18(16(20)12-15)23-19(24)22-14-6-4-5-13(11-14)17-7-2-3-10-21-17/h2-12H,1H3,(H2,22,23,24).
What are the key properties of 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea?
1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea has a molecular weight of 401.88 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea is sourced from PubChem (CID 142392133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).