ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate

C16H16Cl2N2O4S — CID 4665186

IUPACethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O4S/c1-2-24-16(21)20-13-5-7-14(8-6-13)25(22,23)19-10-11-3-4-12(17)9-15(11)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyGPLPVHROYZCJAQ-UHFFFAOYSA-N
MW403.29 g/mol
LogP4.04
Rot. Bonds6

About ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate

ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate (PubChem CID 4665186) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
PubChem CID4665186
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Nameethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O4S/c1-2-24-16(21)20-13-5-7-14(8-6-13)25(22,23)19-10-11-3-4-12(17)9-15(11)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyGPLPVHROYZCJAQ-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
4-[(tert-butylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 59768464
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate (CID 4665186) is ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate?
The InChIKey is GPLPVHROYZCJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-2-24-16(21)20-13-5-7-14(8-6-13)25(22,23)19-10-11-3-4-12(17)9-15(11)18/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate?
ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate has a molecular weight of 403.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 4665186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).