cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate

C14H18BrNO4S — CID 90776107

IUPACcyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNO4S/c1-14(2,3)16(13(17)20-10-8-9-10)21(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3
InChIKeyCPPZWSZBIZHJFB-UHFFFAOYSA-N
MW376.27 g/mol
LogP3.54
Rot. Bonds3

About cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate

cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate (PubChem CID 90776107) has the molecular formula C14H18BrNO4S and a molecular weight of 376.27 g/mol. Its IUPAC name is cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate.

Molecular Properties

Compound Namecyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate
PubChem CID90776107
Molecular FormulaC14H18BrNO4S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Namecyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNO4S/c1-14(2,3)16(13(17)20-10-8-9-10)21(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3
InChIKeyCPPZWSZBIZHJFB-UHFFFAOYSA-N
XLogP3.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate?
The IUPAC name of cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate (CID 90776107) is cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate.
What is the SMILES notation for cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate?
The canonical SMILES for cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate is CC(C)(C)N(C(=O)OC1CC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate?
The InChIKey is CPPZWSZBIZHJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4S/c1-14(2,3)16(13(17)20-10-8-9-10)21(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate?
cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate has a molecular weight of 376.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate is sourced from PubChem (CID 90776107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).