2-chloroethyl N-(phenylsulfamoyl)carbamate

C9H11ClN2O4S — CID 2765590

IUPAC2-chloroethyl N-(phenylsulfamoyl)carbamate
SMILESO=C(NS(=O)(=O)Nc1ccccc1)OCCCl
InChIInChI=1S/C9H11ClN2O4S/c10-6-7-16-9(13)12-17(14,15)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKeySIMQGYXFQKZZHQ-UHFFFAOYSA-N
MW278.72 g/mol
LogP1.31
Rot. Bonds5

About 2-chloroethyl N-(phenylsulfamoyl)carbamate

2-chloroethyl N-(phenylsulfamoyl)carbamate (PubChem CID 2765590) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-chloroethyl N-(phenylsulfamoyl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(phenylsulfamoyl)carbamate
PubChem CID2765590
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name2-chloroethyl N-(phenylsulfamoyl)carbamate
SMILESO=C(NS(=O)(=O)Nc1ccccc1)OCCCl
InChIInChI=1S/C9H11ClN2O4S/c10-6-7-16-9(13)12-17(14,15)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKeySIMQGYXFQKZZHQ-UHFFFAOYSA-N
XLogP1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(phenylsulfamoyl)carbamate
CID 131732175
2-chloroethyl N-[(2-prop-2-enylphenyl)sulfamoyl]carbamate
CID 68793612
methyl N-[[4-(2-chloroethyl)phenyl]sulfamoyl]carbamate
CID 114466351
methyl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466361
benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
CID 69114384
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 167857534
propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466358
2-(2-bromophenyl)-N-(phenylsulfamoyl)acetamide
CID 167750291
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-(phenylsulfamoyl)carbamate?
The IUPAC name of 2-chloroethyl N-(phenylsulfamoyl)carbamate (CID 2765590) is 2-chloroethyl N-(phenylsulfamoyl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(phenylsulfamoyl)carbamate?
The canonical SMILES for 2-chloroethyl N-(phenylsulfamoyl)carbamate is O=C(NS(=O)(=O)Nc1ccccc1)OCCCl.
What is the InChIKey of 2-chloroethyl N-(phenylsulfamoyl)carbamate?
The InChIKey is SIMQGYXFQKZZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c10-6-7-16-9(13)12-17(14,15)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13).
What are the key properties of 2-chloroethyl N-(phenylsulfamoyl)carbamate?
2-chloroethyl N-(phenylsulfamoyl)carbamate has a molecular weight of 278.72 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(phenylsulfamoyl)carbamate is sourced from PubChem (CID 2765590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).