N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide

C12H18N2O2S — CID 162345129

IUPACN-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
SMILESCC(C)N/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16/h4-10,13-14H,1-3H3/b9-8+
InChIKeyFNYJGUSIZBJFKE-CMDGGOBGSA-N
MW254.36 g/mol
LogP2.03
Rot. Bonds5

About N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide

N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide (PubChem CID 162345129) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
PubChem CID162345129
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC NameN-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
SMILESCC(C)N/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16/h4-10,13-14H,1-3H3/b9-8+
InChIKeyFNYJGUSIZBJFKE-CMDGGOBGSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 58755395
CID 173016120
CID 173016120
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 18149857
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920
N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide
CID 56823426
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
CID 90390717
CID 90390717

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide (CID 162345129) is N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide is CC(C)N/C=C/c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide?
The InChIKey is FNYJGUSIZBJFKE-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16/h4-10,13-14H,1-3H3/b9-8+.
What are the key properties of N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide?
N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 162345129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).