(E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide

C15H21NO4S — CID 71796874

IUPAC(E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-13-2-4-14(5-3-13)6-11-21(18,19)16-12-15(17)7-9-20-10-8-15/h2-6,11,16-17H,7-10,12H2,1H3/b11-6+
InChIKeyZGJPPKWIOYAAQQ-IZZDOVSWSA-N
MW311.40 g/mol
LogP1.43
Rot. Bonds5

About (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 71796874) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID71796874
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-13-2-4-14(5-3-13)6-11-21(18,19)16-12-15(17)7-9-20-10-8-15/h2-6,11,16-17H,7-10,12H2,1H3/b11-6+
InChIKeyZGJPPKWIOYAAQQ-IZZDOVSWSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide
CID 56765202
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
CID 71796876
(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(p-tolyl)ethenesulfonamide
CID 71796732
4-fluoro-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-3-methylbenzenesulfonamide
CID 56765203
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56765214
1-(4-fluorophenyl)-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)methanesulfonamide
CID 81130067
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 81130227
4-fluoro-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-2-methylbenzenesulfonamide
CID 81130829
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 81131262
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 81131357
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)benzenesulfonamide
CID 90534175
1,5-anhydro-2,4-dideoxy-2-{[(4-fluorobenzyl)sulfonyl]amino}-3-O-methyl-D-threo-pentitol
CID 91781878

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide (CID 71796874) is (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCC2(O)CCOCC2)cc1.
What is the InChIKey of (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is ZGJPPKWIOYAAQQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-13-2-4-14(5-3-13)6-11-21(18,19)16-12-15(17)7-9-20-10-8-15/h2-6,11,16-17H,7-10,12H2,1H3/b11-6+.
What are the key properties of (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-hydroxyoxan-4-yl)methyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 71796874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).