butyl N-(2-sulfamoylphenyl)carbamate

C11H16N2O4S — CID 140550140

IUPACbutyl N-(2-sulfamoylphenyl)carbamate
SMILESCCCCOC(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-2-3-8-17-11(14)13-9-6-4-5-7-10(9)18(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyUPRZHNLMAMQDMH-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.68
Rot. Bonds5

About butyl N-(2-sulfamoylphenyl)carbamate

butyl N-(2-sulfamoylphenyl)carbamate (PubChem CID 140550140) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is butyl N-(2-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-sulfamoylphenyl)carbamate
PubChem CID140550140
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namebutyl N-(2-sulfamoylphenyl)carbamate
SMILESCCCCOC(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-2-3-8-17-11(14)13-9-6-4-5-7-10(9)18(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyUPRZHNLMAMQDMH-UHFFFAOYSA-N
XLogP1.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.68
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-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
methyl 2-[2-(butoxycarbonylamino)phenyl]-2-oxoacetate
CID 70472077
butyl N-[2-[[4-(butoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 141353878
butyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745026
2-hydroxyethyl N-[2-(ethylsulfamoyl)phenyl]carbamate
CID 79345271
3-[2-(butoxycarbonylamino)phenyl]propanoic acid
CID 70037125
2-(1-aminohexan-2-ylamino)benzenesulfonamide
CID 80698405
methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
CID 91215602
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
decyl 2-sulfamoylbenzoate
CID 139665617

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-sulfamoylphenyl)carbamate?
The IUPAC name of butyl N-(2-sulfamoylphenyl)carbamate (CID 140550140) is butyl N-(2-sulfamoylphenyl)carbamate.
What is the SMILES notation for butyl N-(2-sulfamoylphenyl)carbamate?
The canonical SMILES for butyl N-(2-sulfamoylphenyl)carbamate is CCCCOC(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of butyl N-(2-sulfamoylphenyl)carbamate?
The InChIKey is UPRZHNLMAMQDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-3-8-17-11(14)13-9-6-4-5-7-10(9)18(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of butyl N-(2-sulfamoylphenyl)carbamate?
butyl N-(2-sulfamoylphenyl)carbamate has a molecular weight of 272.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-sulfamoylphenyl)carbamate is sourced from PubChem (CID 140550140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).