1-phenyl-N-propan-2-ylmethanesulfonamide

C10H15NO2S — CID 669278

IUPAC1-phenyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO2S/c1-9(2)11-14(12,13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyHFQLWLOLJSZFLP-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.51
Rot. Bonds4

About 1-phenyl-N-propan-2-ylmethanesulfonamide

1-phenyl-N-propan-2-ylmethanesulfonamide (PubChem CID 669278) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-propan-2-ylmethanesulfonamide
PubChem CID669278
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-phenyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO2S/c1-9(2)11-14(12,13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyHFQLWLOLJSZFLP-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-phenyl-N-propan-2-ylmethanesulfonamide (CID 669278) is 1-phenyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-phenyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-phenyl-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is HFQLWLOLJSZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-9(2)11-14(12,13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 1-phenyl-N-propan-2-ylmethanesulfonamide?
1-phenyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 669278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).