4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

C16H19NO2S — CID 3829601

IUPAC4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-13-9-11-15(12-10-13)20(18,19)17-16(2,3)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyOSOWYDICZZHPKW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.21
Rot. Bonds4

About 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 3829601) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID3829601
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-13-9-11-15(12-10-13)20(18,19)17-16(2,3)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyOSOWYDICZZHPKW-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide (CID 3829601) is 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is OSOWYDICZZHPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-9-11-15(12-10-13)20(18,19)17-16(2,3)14-7-5-4-6-8-14/h4-12,17H,1-3H3.
What are the key properties of 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3829601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).