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

C22H21ClN2O4S — CID 3591445

IUPACbenzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-2-25(18-11-7-4-8-12-18)30(27,28)19-13-14-20(23)21(15-19)24-22(26)29-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyQILSIAQHVAGDKF-UHFFFAOYSA-N
MW444.94 g/mol
LogP5.30
Rot. Bonds7

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

benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate (PubChem CID 3591445) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
PubChem CID3591445
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Namebenzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-2-25(18-11-7-4-8-12-18)30(27,28)19-13-14-20(23)21(15-19)24-22(26)29-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyQILSIAQHVAGDKF-UHFFFAOYSA-N
XLogP5.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
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
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 16575734
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
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate
CID 4935758
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate (CID 3591445) is benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is QILSIAQHVAGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-2-25(18-11-7-4-8-12-18)30(27,28)19-13-14-20(23)21(15-19)24-22(26)29-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate?
benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 444.94 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 3591445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).