1-(3-propan-2-ylphenyl)ethanesulfonamide

C11H17NO2S — CID 10082467

IUPAC1-(3-propan-2-ylphenyl)ethanesulfonamide
SMILESCC(C)c1cccc(C(C)S(N)(=O)=O)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)10-5-4-6-11(7-10)9(3)15(12,13)14/h4-9H,1-3H3,(H2,12,13,14)
InChIKeyBCQRNZPRMFPINI-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.16
Rot. Bonds3

About 1-(3-propan-2-ylphenyl)ethanesulfonamide

1-(3-propan-2-ylphenyl)ethanesulfonamide (PubChem CID 10082467) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)ethanesulfonamide
PubChem CID10082467
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(3-propan-2-ylphenyl)ethanesulfonamide
SMILESCC(C)c1cccc(C(C)S(N)(=O)=O)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)10-5-4-6-11(7-10)9(3)15(12,13)14/h4-9H,1-3H3,(H2,12,13,14)
InChIKeyBCQRNZPRMFPINI-UHFFFAOYSA-N
XLogP2.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
1-(3,4-dimethylphenyl)ethanesulfonamide
CID 62083506
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 130804056
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
CID 66768595
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)ethanesulfonamide?
The IUPAC name of 1-(3-propan-2-ylphenyl)ethanesulfonamide (CID 10082467) is 1-(3-propan-2-ylphenyl)ethanesulfonamide.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)ethanesulfonamide?
The canonical SMILES for 1-(3-propan-2-ylphenyl)ethanesulfonamide is CC(C)c1cccc(C(C)S(N)(=O)=O)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)ethanesulfonamide?
The InChIKey is BCQRNZPRMFPINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)10-5-4-6-11(7-10)9(3)15(12,13)14/h4-9H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-propan-2-ylphenyl)ethanesulfonamide?
1-(3-propan-2-ylphenyl)ethanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 10082467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).