1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea

C15H15ClN2O4S — CID 44586473

IUPAC1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-5-3-2-4-11(14)10-17-15(19)18-23(20,21)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyUMDIHDFZXPXLGW-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.54
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea

1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 44586473) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
PubChem CID44586473
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-5-3-2-4-11(14)10-17-15(19)18-23(20,21)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyUMDIHDFZXPXLGW-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 21065058
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126033129
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 27451022
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea (CID 44586473) is 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is UMDIHDFZXPXLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-14-5-3-2-4-11(14)10-17-15(19)18-23(20,21)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea?
1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 354.82 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 44586473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).