N-tert-butyl-4-propan-2-ylbenzenesulfonamide

C13H21NO2S — CID 767963

IUPACN-tert-butyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-10(2)11-6-8-12(9-7-11)17(15,16)14-13(3,4)5/h6-10,14H,1-5H3
InChIKeyORXDMJZFDSXDQQ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.89
Rot. Bonds3

About N-tert-butyl-4-propan-2-ylbenzenesulfonamide

N-tert-butyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 767963) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-tert-butyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-propan-2-ylbenzenesulfonamide
PubChem CID767963
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-tert-butyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-10(2)11-6-8-12(9-7-11)17(15,16)14-13(3,4)5/h6-10,14H,1-5H3
InChIKeyORXDMJZFDSXDQQ-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-propan-2-ylbenzenesulfonamide (CID 767963) is N-tert-butyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ORXDMJZFDSXDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(2)11-6-8-12(9-7-11)17(15,16)14-13(3,4)5/h6-10,14H,1-5H3.
What are the key properties of N-tert-butyl-4-propan-2-ylbenzenesulfonamide?
N-tert-butyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 767963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).