butyl N-(phenylsulfamoyl)carbamate

C11H16N2O4S — CID 131732175

IUPACbutyl N-(phenylsulfamoyl)carbamate
SMILESCCCCOC(=O)NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-2-3-9-17-11(14)13-18(15,16)12-10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14)
InChIKeyQGURTWMYLAURND-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.87
Rot. Bonds6

About butyl N-(phenylsulfamoyl)carbamate

butyl N-(phenylsulfamoyl)carbamate (PubChem CID 131732175) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is butyl N-(phenylsulfamoyl)carbamate.

Molecular Properties

Compound Namebutyl N-(phenylsulfamoyl)carbamate
PubChem CID131732175
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namebutyl N-(phenylsulfamoyl)carbamate
SMILESCCCCOC(=O)NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-2-3-9-17-11(14)13-18(15,16)12-10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14)
InChIKeyQGURTWMYLAURND-UHFFFAOYSA-N
XLogP1.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl N-(phenylsulfamoyl)carbamate
CID 2765590
butyl N-anilinocarbamate
CID 57279128
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
butyl N-(phenylcarbamoyl)carbamate
CID 67363969
dodecyl N-phenylcarbamate
CID 521818
butyl N-chlorosulfonylcarbamate
CID 55279204
butyl N-(1-phenylethyl)carbamate
CID 571821
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
CID 2248835
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
3-(butoxycarbonylamino)benzoic acid
CID 70253445

Frequently Asked Questions

What is the IUPAC name of butyl N-(phenylsulfamoyl)carbamate?
The IUPAC name of butyl N-(phenylsulfamoyl)carbamate (CID 131732175) is butyl N-(phenylsulfamoyl)carbamate.
What is the SMILES notation for butyl N-(phenylsulfamoyl)carbamate?
The canonical SMILES for butyl N-(phenylsulfamoyl)carbamate is CCCCOC(=O)NS(=O)(=O)Nc1ccccc1.
What is the InChIKey of butyl N-(phenylsulfamoyl)carbamate?
The InChIKey is QGURTWMYLAURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-3-9-17-11(14)13-18(15,16)12-10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14).
What are the key properties of butyl N-(phenylsulfamoyl)carbamate?
butyl N-(phenylsulfamoyl)carbamate has a molecular weight of 272.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(phenylsulfamoyl)carbamate is sourced from PubChem (CID 131732175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).