2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide

C12H17NO2S — CID 66768595

IUPAC2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
SMILESCC(=CS(N)(=O)=O)c1cccc(C(C)C)c1
InChIInChI=1S/C12H17NO2S/c1-9(2)11-5-4-6-12(7-11)10(3)8-16(13,14)15/h4-9H,1-3H3,(H2,13,14,15)
InChIKeyUUZWUEBXQIRVIJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.46
Rot. Bonds3

About 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide

2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide (PubChem CID 66768595) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
PubChem CID66768595
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
SMILESCC(=CS(N)(=O)=O)c1cccc(C(C)C)c1
InChIInChI=1S/C12H17NO2S/c1-9(2)11-5-4-6-12(7-11)10(3)8-16(13,14)15/h4-9H,1-3H3,(H2,13,14,15)
InChIKeyUUZWUEBXQIRVIJ-UHFFFAOYSA-N
XLogP2.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-ylphenyl)ethanesulfonamide
CID 10082467
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
CID 125466881
N,N'-diamino-3-propan-2-ylbenzenecarboximidamide
CID 170970616
(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
CID 89230428
5-methyl-2-(3-propan-2-ylphenyl)hex-2-enal
CID 163825887

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide?
The IUPAC name of 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide (CID 66768595) is 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide?
The canonical SMILES for 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide is CC(=CS(N)(=O)=O)c1cccc(C(C)C)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide?
The InChIKey is UUZWUEBXQIRVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(2)11-5-4-6-12(7-11)10(3)8-16(13,14)15/h4-9H,1-3H3,(H2,13,14,15).
What are the key properties of 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide?
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide is sourced from PubChem (CID 66768595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).