4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide

C17H19NO3S — CID 134958615

IUPAC4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide
SMILESC=C(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)Oc1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(2)17(21-15-7-5-4-6-8-15)18-22(19,20)16-11-9-14(3)10-12-16/h4-12,17-18H,1H2,2-3H3/t17-/m0/s1
InChIKeyHYPAPUVTGUOETD-KRWDZBQOSA-N
MW317.41 g/mol
LogP3.25
Rot. Bonds6

About 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide

4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide (PubChem CID 134958615) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide
PubChem CID134958615
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide
SMILESC=C(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)Oc1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(2)17(21-15-7-5-4-6-8-15)18-22(19,20)16-11-9-14(3)10-12-16/h4-12,17-18H,1H2,2-3H3/t17-/m0/s1
InChIKeyHYPAPUVTGUOETD-KRWDZBQOSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-[phenoxy(phenyl)phosphoryl]ethyl]benzenesulfonamide
CID 54172963
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 26599279
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
[4-methyl-3-[(4-methylphenyl)sulfonylamino]pent-4-enyl] 4-methylbenzenesulfonate
CID 146018316
N-[(E)-1-hydroxy-2-methyl-3-phenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 135033918
phenyl 2-[(S)-(4-ethylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 102465480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide (CID 134958615) is 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide is C=C(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)Oc1ccccc1.
What is the InChIKey of 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide?
The InChIKey is HYPAPUVTGUOETD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(2)17(21-15-7-5-4-6-8-15)18-22(19,20)16-11-9-14(3)10-12-16/h4-12,17-18H,1H2,2-3H3/t17-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide?
4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2-methyl-1-phenoxyprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 134958615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).