butyl N-(2-chlorophenyl)sulfonylcarbamate

C11H14ClNO4S — CID 3265442

IUPACbutyl N-(2-chlorophenyl)sulfonylcarbamate
SMILESCCCCOC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-2-3-8-17-11(14)13-18(15,16)10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyHIKLNHKXZPVACN-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.56
Rot. Bonds5

About butyl N-(2-chlorophenyl)sulfonylcarbamate

butyl N-(2-chlorophenyl)sulfonylcarbamate (PubChem CID 3265442) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is butyl N-(2-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namebutyl N-(2-chlorophenyl)sulfonylcarbamate
PubChem CID3265442
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Namebutyl N-(2-chlorophenyl)sulfonylcarbamate
SMILESCCCCOC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-2-3-8-17-11(14)13-18(15,16)10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyHIKLNHKXZPVACN-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(2-chlorophenyl)sulfonylcarbamate?
The IUPAC name of butyl N-(2-chlorophenyl)sulfonylcarbamate (CID 3265442) is butyl N-(2-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for butyl N-(2-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for butyl N-(2-chlorophenyl)sulfonylcarbamate is CCCCOC(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of butyl N-(2-chlorophenyl)sulfonylcarbamate?
The InChIKey is HIKLNHKXZPVACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-3-8-17-11(14)13-18(15,16)10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14).
What are the key properties of butyl N-(2-chlorophenyl)sulfonylcarbamate?
butyl N-(2-chlorophenyl)sulfonylcarbamate has a molecular weight of 291.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 3265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).