N-tert-butyl-1-phenylcyclopropane-1-sulfonamide

C13H19NO2S — CID 134204354

IUPACN-tert-butyl-1-phenylcyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H19NO2S/c1-12(2,3)14-17(15,16)13(9-10-13)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyXKAHYSRQYBEKJF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.39
Rot. Bonds3

About N-tert-butyl-1-phenylcyclopropane-1-sulfonamide

N-tert-butyl-1-phenylcyclopropane-1-sulfonamide (PubChem CID 134204354) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-tert-butyl-1-phenylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-phenylcyclopropane-1-sulfonamide
PubChem CID134204354
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-tert-butyl-1-phenylcyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H19NO2S/c1-12(2,3)14-17(15,16)13(9-10-13)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyXKAHYSRQYBEKJF-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenylcyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1-phenylcyclopropane-1-sulfonamide (CID 134204354) is N-tert-butyl-1-phenylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-phenylcyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1-phenylcyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-tert-butyl-1-phenylcyclopropane-1-sulfonamide?
The InChIKey is XKAHYSRQYBEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-12(2,3)14-17(15,16)13(9-10-13)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of N-tert-butyl-1-phenylcyclopropane-1-sulfonamide?
N-tert-butyl-1-phenylcyclopropane-1-sulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenylcyclopropane-1-sulfonamide is sourced from PubChem (CID 134204354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).