N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide

C13H19NO2S — CID 102308151

IUPACN-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=CCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2S/c1-4-5-6-12(3)14-17(15,16)13-9-7-11(2)8-10-13/h4,7-10,12,14H,1,5-6H2,2-3H3/t12-/m0/s1
InChIKeyLUWDRLDJWRUNJV-LBPRGKRZSA-N
MW253.37 g/mol
LogP2.63
Rot. Bonds6

About N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide

N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide (PubChem CID 102308151) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
PubChem CID102308151
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=CCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2S/c1-4-5-6-12(3)14-17(15,16)13-9-7-11(2)8-10-13/h4,7-10,12,14H,1,5-6H2,2-3H3/t12-/m0/s1
InChIKeyLUWDRLDJWRUNJV-LBPRGKRZSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide
CID 46704155

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide (CID 102308151) is N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide is C=CCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is LUWDRLDJWRUNJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-5-6-12(3)14-17(15,16)13-9-7-11(2)8-10-13/h4,7-10,12,14H,1,5-6H2,2-3H3/t12-/m0/s1.
What are the key properties of N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide?
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102308151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).