2-tert-butylbenzenesulfonamide

C10H15NO2S — CID 18184262

IUPAC2-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyCEKMRJVRIRSIFF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.63
Rot. Bonds1

About 2-tert-butylbenzenesulfonamide

2-tert-butylbenzenesulfonamide (PubChem CID 18184262) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-tert-butylbenzenesulfonamide
PubChem CID18184262
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyCEKMRJVRIRSIFF-UHFFFAOYSA-N
XLogP1.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzenesulfonamide?
The IUPAC name of 2-tert-butylbenzenesulfonamide (CID 18184262) is 2-tert-butylbenzenesulfonamide.
What is the SMILES notation for 2-tert-butylbenzenesulfonamide?
The canonical SMILES for 2-tert-butylbenzenesulfonamide is CC(C)(C)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-tert-butylbenzenesulfonamide?
The InChIKey is CEKMRJVRIRSIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 2-tert-butylbenzenesulfonamide?
2-tert-butylbenzenesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzenesulfonamide is sourced from PubChem (CID 18184262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).