2-butyl-5-propan-2-ylbenzenesulfonamide

C13H21NO2S — CID 142683434

IUPAC2-butyl-5-propan-2-ylbenzenesulfonamide
SMILESCCCCc1ccc(C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-4-5-6-11-7-8-12(10(2)3)9-13(11)17(14,15)16/h7-10H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyYKPWGIJDQQGXAZ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.80
Rot. Bonds5

About 2-butyl-5-propan-2-ylbenzenesulfonamide

2-butyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 142683434) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-butyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-butyl-5-propan-2-ylbenzenesulfonamide
PubChem CID142683434
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-butyl-5-propan-2-ylbenzenesulfonamide
SMILESCCCCc1ccc(C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-4-5-6-11-7-8-12(10(2)3)9-13(11)17(14,15)16/h7-10H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyYKPWGIJDQQGXAZ-UHFFFAOYSA-N
XLogP2.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-butyl-5-propan-2-ylbenzenesulfonamide (CID 142683434) is 2-butyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-butyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-butyl-5-propan-2-ylbenzenesulfonamide is CCCCc1ccc(C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 2-butyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is YKPWGIJDQQGXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-5-6-11-7-8-12(10(2)3)9-13(11)17(14,15)16/h7-10H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-butyl-5-propan-2-ylbenzenesulfonamide?
2-butyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 142683434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).