ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate

C17H19ClN2O4S — CID 3647141

IUPACethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(13-8-6-5-7-9-13)25(22,23)14-10-11-15(18)16(12-14)19-17(21)24-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyOEYDBSPHWSTZGV-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.12
Rot. Bonds6

About ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate

ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate (PubChem CID 3647141) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
PubChem CID3647141
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Nameethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(13-8-6-5-7-9-13)25(22,23)14-10-11-15(18)16(12-14)19-17(21)24-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyOEYDBSPHWSTZGV-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3591445
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 3983951
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 4840754
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 16575734
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate
CID 3914061
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
CID 55600473
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate (CID 3647141) is ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate is CCOC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl.
What is the InChIKey of ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is OEYDBSPHWSTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-3-20(13-8-6-5-7-9-13)25(22,23)14-10-11-15(18)16(12-14)19-17(21)24-4-2/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 382.87 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 3647141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).