N-tert-butyl-4-methylbenzenesulfonamide;ethane

C15H29NO2S — CID 143460137

IUPACN-tert-butyl-4-methylbenzenesulfonamide;ethane
SMILESCC.CC.Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C11H17NO2S.2C2H6/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4;2*1-2/h5-8,12H,1-4H3;2*1-2H3
InChIKeyLEPPWNPKWTYELC-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.12
Rot. Bonds2

About N-tert-butyl-4-methylbenzenesulfonamide;ethane

N-tert-butyl-4-methylbenzenesulfonamide;ethane (PubChem CID 143460137) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-tert-butyl-4-methylbenzenesulfonamide;ethane.

Molecular Properties

Compound NameN-tert-butyl-4-methylbenzenesulfonamide;ethane
PubChem CID143460137
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-tert-butyl-4-methylbenzenesulfonamide;ethane
SMILESCC.CC.Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C11H17NO2S.2C2H6/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4;2*1-2/h5-8,12H,1-4H3;2*1-2H3
InChIKeyLEPPWNPKWTYELC-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 53219213
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 110440972
4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
CID 43102631
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylbenzenesulfonamide;ethane?
The IUPAC name of N-tert-butyl-4-methylbenzenesulfonamide;ethane (CID 143460137) is N-tert-butyl-4-methylbenzenesulfonamide;ethane.
What is the SMILES notation for N-tert-butyl-4-methylbenzenesulfonamide;ethane?
The canonical SMILES for N-tert-butyl-4-methylbenzenesulfonamide;ethane is CC.CC.Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-methylbenzenesulfonamide;ethane?
The InChIKey is LEPPWNPKWTYELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.2C2H6/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4;2*1-2/h5-8,12H,1-4H3;2*1-2H3.
What are the key properties of N-tert-butyl-4-methylbenzenesulfonamide;ethane?
N-tert-butyl-4-methylbenzenesulfonamide;ethane has a molecular weight of 287.47 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylbenzenesulfonamide;ethane is sourced from PubChem (CID 143460137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).