1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea

C21H18N4O3S — CID 22011348

IUPAC1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N4O3S/c1-15-7-5-6-10-18(15)23-21(26)24-19-12-11-16(14-22)13-20(19)25-29(27,28)17-8-3-2-4-9-17/h2-13,25H,1H3,(H2,23,24,26)
InChIKeyGLRSOWUQGPAHGM-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.31
Rot. Bonds5

About 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea

1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea (PubChem CID 22011348) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
PubChem CID22011348
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N4O3S/c1-15-7-5-6-10-18(15)23-21(26)24-19-12-11-16(14-22)13-20(19)25-29(27,28)17-8-3-2-4-9-17/h2-13,25H,1H3,(H2,23,24,26)
InChIKeyGLRSOWUQGPAHGM-UHFFFAOYSA-N
XLogP4.31
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-nitrophenyl)urea
CID 21184794
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
CID 10367029
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
CID 58974303

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea (CID 22011348) is 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea?
The InChIKey is GLRSOWUQGPAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-15-7-5-6-10-18(15)23-21(26)24-19-12-11-16(14-22)13-20(19)25-29(27,28)17-8-3-2-4-9-17/h2-13,25H,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea?
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea has a molecular weight of 406.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 22011348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).