N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide

C15H23NO2S — CID 59732240

IUPACN-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
SMILESCC(C)(C)c1ccc(CCNS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)13-6-4-12(5-7-13)10-11-16-19(17,18)14-8-9-14/h4-7,14,16H,8-11H2,1-3H3
InChIKeyXQHBAALZCNQSNV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide

N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide (PubChem CID 59732240) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
PubChem CID59732240
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
SMILESCC(C)(C)c1ccc(CCNS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)13-6-4-12(5-7-13)10-11-16-19(17,18)14-8-9-14/h4-7,14,16H,8-11H2,1-3H3
InChIKeyXQHBAALZCNQSNV-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide
CID 64553058
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
1-tert-butyl-4-cyclopropylsulfonylbenzene
CID 117031985
1-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159436569
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide
CID 107234005
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790741

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide (CID 59732240) is N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide is CC(C)(C)c1ccc(CCNS(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide?
The InChIKey is XQHBAALZCNQSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)13-6-4-12(5-7-13)10-11-16-19(17,18)14-8-9-14/h4-7,14,16H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide?
N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 59732240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).