3-tert-butyl-N-cyclopropylbenzenesulfonamide

C13H19NO2S — CID 59019434

IUPAC3-tert-butyl-N-cyclopropylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)10-5-4-6-12(9-10)17(15,16)14-11-7-8-11/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyKQHIWAWTULAPCB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds3

About 3-tert-butyl-N-cyclopropylbenzenesulfonamide

3-tert-butyl-N-cyclopropylbenzenesulfonamide (PubChem CID 59019434) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-tert-butyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-cyclopropylbenzenesulfonamide
PubChem CID59019434
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-tert-butyl-N-cyclopropylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)10-5-4-6-12(9-10)17(15,16)14-11-7-8-11/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyKQHIWAWTULAPCB-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 46532975
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
3-tert-butylbenzenesulfonate
CID 22438691
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-[3-(cyclopropylsulfamoyl)phenyl]formamide
CID 64992221
3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 81486538
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 38114118
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-tert-butyl-N-cyclopropylbenzenesulfonamide (CID 59019434) is 3-tert-butyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-N-cyclopropylbenzenesulfonamide is CC(C)(C)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-tert-butyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is KQHIWAWTULAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,3)10-5-4-6-12(9-10)17(15,16)14-11-7-8-11/h4-6,9,11,14H,7-8H2,1-3H3.
What are the key properties of 3-tert-butyl-N-cyclopropylbenzenesulfonamide?
3-tert-butyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 59019434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).