tert-butyl N-(4-chlorophenyl)sulfonylcarbamate

C11H14ClNO4S — CID 14796817

IUPACtert-butyl N-(4-chlorophenyl)sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-18(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyKIAOVBQYQHQHGW-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl N-(4-chlorophenyl)sulfonylcarbamate

tert-butyl N-(4-chlorophenyl)sulfonylcarbamate (PubChem CID 14796817) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is tert-butyl N-(4-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chlorophenyl)sulfonylcarbamate
PubChem CID14796817
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Nametert-butyl N-(4-chlorophenyl)sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-18(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyKIAOVBQYQHQHGW-UHFFFAOYSA-N
XLogP2.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4-chlorophenyl)sulfonylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chlorophenyl)sulfonylcarbamate?
The IUPAC name of tert-butyl N-(4-chlorophenyl)sulfonylcarbamate (CID 14796817) is tert-butyl N-(4-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-(4-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for tert-butyl N-(4-chlorophenyl)sulfonylcarbamate is CC(C)(C)OC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-(4-chlorophenyl)sulfonylcarbamate?
The InChIKey is KIAOVBQYQHQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-18(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-chlorophenyl)sulfonylcarbamate?
tert-butyl N-(4-chlorophenyl)sulfonylcarbamate has a molecular weight of 291.76 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 14796817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).