N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide

C10H13NO2S — CID 59156553

IUPACN-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
SMILESC/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H13NO2S/c1-3-4-9-5-7-10(8-6-9)11-14(2,12)13/h3-8,11H,1-2H3/b4-3+
InChIKeyIFYUIMJUWIIZMB-ONEGZZNKSA-N
MW211.29 g/mol
LogP2.09
Rot. Bonds3

About N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide

N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide (PubChem CID 59156553) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
PubChem CID59156553
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
SMILESC/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H13NO2S/c1-3-4-9-5-7-10(8-6-9)11-14(2,12)13/h3-8,11H,1-2H3/b4-3+
InChIKeyIFYUIMJUWIIZMB-ONEGZZNKSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 58755395
CID 173016120
CID 173016120
N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
CID 162345129
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156661
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
CID 90390717
CID 90390717
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308
N-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 18149857
(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 31245132

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide (CID 59156553) is N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide is C/C=C/c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
The InChIKey is IFYUIMJUWIIZMB-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-4-9-5-7-10(8-6-9)11-14(2,12)13/h3-8,11H,1-2H3/b4-3+.
What are the key properties of N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide?
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide has a molecular weight of 211.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59156553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).