[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium

C16H16NO3S+ — CID 170922892

IUPAC[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
SMILESC#[N+]C(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16NO3S/c1-12-7-9-15(10-8-12)21(18,19)16(17-2)13-5-4-6-14(11-13)20-3/h2,4-11,16H,1,3H3/q+1
InChIKeySNXCMHOCAKABMN-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.44
Rot. Bonds4

About [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium

[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium (PubChem CID 170922892) has the molecular formula C16H16NO3S+ and a molecular weight of 302.38 g/mol. Its IUPAC name is [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium.

Molecular Properties

Compound Name[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
PubChem CID170922892
Molecular FormulaC16H16NO3S+
Molecular Weight302.38 g/mol
Exact Mass302.08
IUPAC Name[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
SMILESC#[N+]C(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16NO3S/c1-12-7-9-15(10-8-12)21(18,19)16(17-2)13-5-4-6-14(11-13)20-3/h2,4-11,16H,1,3H3/q+1
InChIKeySNXCMHOCAKABMN-UHFFFAOYSA-N
XLogP3.44
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one
CID 15732520
N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 71417579
[3-(1-methoxyethyl)phenyl] 4-methylbenzenesulfonate
CID 87298184
1-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]-2-methoxybenzene
CID 97291162
3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-phenyl-1H-indole
CID 102307639
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93179193
[2-ethyl-3-(3-methoxyphenyl)pentyl] 4-methylbenzenesulfonate
CID 87378112
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
N-[1-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841842

Frequently Asked Questions

What is the IUPAC name of [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
The IUPAC name of [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium (CID 170922892) is [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium.
What is the SMILES notation for [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
The canonical SMILES for [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium is C#[N+]C(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
The InChIKey is SNXCMHOCAKABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO3S/c1-12-7-9-15(10-8-12)21(18,19)16(17-2)13-5-4-6-14(11-13)20-3/h2,4-11,16H,1,3H3/q+1.
What are the key properties of [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium?
[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium has a molecular weight of 302.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium is sourced from PubChem (CID 170922892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).