1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea

C20H19N3O4S — CID 4143693

IUPAC1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h2-14,23H,1H3,(H2,21,22,24)
InChIKeyGSIUZBDRHJIEKA-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.14
Rot. Bonds6

About 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea

1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea (PubChem CID 4143693) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea
PubChem CID4143693
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h2-14,23H,1H3,(H2,21,22,24)
InChIKeyGSIUZBDRHJIEKA-UHFFFAOYSA-N
XLogP4.14
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]
CID 82362
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CID 668310
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
[4-[(2-Phenoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70696642
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide
CID 1643
T-900607
CID 9812416
1-(2-Methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817798
3-{[(2-ethoxyanilino)carbonyl]amino}-N,N,4-trimethylbenzenesulfonamide
CID 2812297
N-(2-Ethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7586546
1-(2-Ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 753422
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea (CID 4143693) is 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea?
The InChIKey is GSIUZBDRHJIEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h2-14,23H,1H3,(H2,21,22,24).
What are the key properties of 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea?
1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea has a molecular weight of 397.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 4143693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).