butyl N-(4-methoxyphenyl)sulfonylcarbamate

C12H17NO5S — CID 132577582

IUPACbutyl N-(4-methoxyphenyl)sulfonylcarbamate
SMILESCCCCOC(=O)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO5S/c1-3-4-9-18-12(14)13-19(15,16)11-7-5-10(17-2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyKGNHTFOAWOUNHZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.91
Rot. Bonds6

About butyl N-(4-methoxyphenyl)sulfonylcarbamate

butyl N-(4-methoxyphenyl)sulfonylcarbamate (PubChem CID 132577582) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is butyl N-(4-methoxyphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namebutyl N-(4-methoxyphenyl)sulfonylcarbamate
PubChem CID132577582
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namebutyl N-(4-methoxyphenyl)sulfonylcarbamate
SMILESCCCCOC(=O)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO5S/c1-3-4-9-18-12(14)13-19(15,16)11-7-5-10(17-2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyKGNHTFOAWOUNHZ-UHFFFAOYSA-N
XLogP1.91
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate
CID 90839007
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
CID 94217640
butyl N-[benzenesulfonyl-(4-methoxyphenyl)methyl]carbamate
CID 12965374
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
butyl N-chlorosulfonylcarbamate
CID 55279204
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698

Frequently Asked Questions

What is the IUPAC name of butyl N-(4-methoxyphenyl)sulfonylcarbamate?
The IUPAC name of butyl N-(4-methoxyphenyl)sulfonylcarbamate (CID 132577582) is butyl N-(4-methoxyphenyl)sulfonylcarbamate.
What is the SMILES notation for butyl N-(4-methoxyphenyl)sulfonylcarbamate?
The canonical SMILES for butyl N-(4-methoxyphenyl)sulfonylcarbamate is CCCCOC(=O)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of butyl N-(4-methoxyphenyl)sulfonylcarbamate?
The InChIKey is KGNHTFOAWOUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-3-4-9-18-12(14)13-19(15,16)11-7-5-10(17-2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of butyl N-(4-methoxyphenyl)sulfonylcarbamate?
butyl N-(4-methoxyphenyl)sulfonylcarbamate has a molecular weight of 287.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4-methoxyphenyl)sulfonylcarbamate is sourced from PubChem (CID 132577582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).