2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate

C12H15ClN2O4S — CID 68793612

IUPAC2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate
SMILESC=CCc1ccccc1NS(=O)(=O)NC(=O)OCCCl
InChIInChI=1S/C12H15ClN2O4S/c1-2-5-10-6-3-4-7-11(10)14-20(17,18)15-12(16)19-9-8-13/h2-4,6-7,14H,1,5,8-9H2,(H,15,16)
InChIKeyYKTCNLYTBVABES-UHFFFAOYSA-N
MW318.78 g/mol
LogP2.04
Rot. Bonds7

About 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate

2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate (PubChem CID 68793612) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Name2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate
PubChem CID68793612
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate
SMILESC=CCc1ccccc1NS(=O)(=O)NC(=O)OCCCl
InChIInChI=1S/C12H15ClN2O4S/c1-2-5-10-6-3-4-7-11(10)14-20(17,18)15-12(16)19-9-8-13/h2-4,6-7,14H,1,5,8-9H2,(H,15,16)
InChIKeyYKTCNLYTBVABES-UHFFFAOYSA-N
XLogP2.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloroethyl N-(phenylsulfamoyl)carbamate
CID 2765590
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
2-(2-prop-2-enylanilino)propanoic acid
CID 12657922
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate
CID 19842449
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
2-(2-chloroethoxy)ethyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970608
2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
CID 70357054
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate?
The IUPAC name of 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate (CID 68793612) is 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate?
The canonical SMILES for 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate is C=CCc1ccccc1NS(=O)(=O)NC(=O)OCCCl.
What is the InChIKey of 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate?
The InChIKey is YKTCNLYTBVABES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-2-5-10-6-3-4-7-11(10)14-20(17,18)15-12(16)19-9-8-13/h2-4,6-7,14H,1,5,8-9H2,(H,15,16).
What are the key properties of 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate?
2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate has a molecular weight of 318.78 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 68793612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).