N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide

C17H19NO4S2 — CID 68619084

IUPACN-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide
SMILESC=Cc1cc(NS(C)(=O)=O)ccc1CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S2/c1-4-14-11-16(18-23(3,19)20)8-7-15(14)12-24(21,22)17-9-5-13(2)6-10-17/h4-11,18H,1,12H2,2-3H3
InChIKeyOQLVGRCPQLIUHU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.98
Rot. Bonds6

About N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide

N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide (PubChem CID 68619084) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide
PubChem CID68619084
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide
SMILESC=Cc1cc(NS(C)(=O)=O)ccc1CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S2/c1-4-14-11-16(18-23(3,19)20)8-7-15(14)12-24(21,22)17-9-5-13(2)6-10-17/h4-11,18H,1,12H2,2-3H3
InChIKeyOQLVGRCPQLIUHU-UHFFFAOYSA-N
XLogP2.98
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(4-methylphenyl)sulfonylmethyl]benzonitrile
CID 60731049
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
CID 10882589
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
1,4-dichloro-2-[(4-methylphenyl)sulfonylmethyl]benzene
CID 173074233
methyl 2-[(4-methylphenyl)sulfonyl-[[3-[(4-methylphenyl)sulfonylmethyl]naphthalen-2-yl]methyl]amino]prop-2-enoate
CID 76516738
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308
3-bromo-4-[(4-methylphenyl)sulfonylmethyl]benzoic acid
CID 102766341
3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
CID 10925155
methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate
CID 10883582
(2-ethenyl-4-phenoxyphenyl)methyl 4-methylbenzenesulfonate
CID 118407544

Frequently Asked Questions

What is the IUPAC name of N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide (CID 68619084) is N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide is C=Cc1cc(NS(C)(=O)=O)ccc1CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide?
The InChIKey is OQLVGRCPQLIUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-4-14-11-16(18-23(3,19)20)8-7-15(14)12-24(21,22)17-9-5-13(2)6-10-17/h4-11,18H,1,12H2,2-3H3.
What are the key properties of N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide?
N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide has a molecular weight of 365.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethenyl-4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 68619084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).