1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea

C17H15N3O3S — CID 21177304

IUPAC1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)NS(=O)(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H15N3O3S/c1-12-11-16(14-9-5-6-10-15(14)18-12)19-17(21)20-24(22,23)13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyOZKRXQDXDSOHDK-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.05
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea

1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 21177304) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID21177304
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)NS(=O)(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H15N3O3S/c1-12-11-16(14-9-5-6-10-15(14)18-12)19-17(21)20-24(22,23)13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyOZKRXQDXDSOHDK-UHFFFAOYSA-N
XLogP3.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
CID 4564027
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 22745166
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 11465185
1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea (CID 21177304) is 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)NS(=O)(=O)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is OZKRXQDXDSOHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-12-11-16(14-9-5-6-10-15(14)18-12)19-17(21)20-24(22,23)13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea?
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 341.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 21177304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).