1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea

C21H18N4O4S — CID 166182205

IUPAC1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-29-19-10-6-18(7-11-19)25-30(27,28)20-12-8-17(9-13-20)24-21(26)23-16-4-2-15(14-22)3-5-16/h2-13,25H,1H3,(H2,23,24,26)
InChIKeyZTNQJKDYULAKLO-UHFFFAOYSA-N
MW422.47 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea

1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea (PubChem CID 166182205) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
PubChem CID166182205
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-29-19-10-6-18(7-11-19)25-30(27,28)20-12-8-17(9-13-20)24-21(26)23-16-4-2-15(14-22)3-5-16/h2-13,25H,1H3,(H2,23,24,26)
InChIKeyZTNQJKDYULAKLO-UHFFFAOYSA-N
XLogP4.01
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
(4-cyanophenyl)methyl 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2368222
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
CID 3500250
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea (CID 166182205) is 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The InChIKey is ZTNQJKDYULAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-29-19-10-6-18(7-11-19)25-30(27,28)20-12-8-17(9-13-20)24-21(26)23-16-4-2-15(14-22)3-5-16/h2-13,25H,1H3,(H2,23,24,26).
What are the key properties of 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea has a molecular weight of 422.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 166182205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).