[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide

C16H20N2O2S — CID 62391957

IUPAC[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
SMILESCCc1ccccc1CNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-14-5-3-4-6-15(14)11-18-16-9-7-13(8-10-16)12-21(17,19)20/h3-10,18H,2,11-12H2,1H3,(H2,17,19,20)
InChIKeyNHFIJYFADNZWPQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds6

About [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide

[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 62391957) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
PubChem CID62391957
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
SMILESCCc1ccccc1CNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-14-5-3-4-6-15(14)11-18-16-9-7-13(8-10-16)12-21(17,19)20/h3-10,18H,2,11-12H2,1H3,(H2,17,19,20)
InChIKeyNHFIJYFADNZWPQ-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
CID 62392123
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide
CID 62338707
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 107694380
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107124007
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide (CID 62391957) is [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide is CCc1ccccc1CNc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is NHFIJYFADNZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-14-5-3-4-6-15(14)11-18-16-9-7-13(8-10-16)12-21(17,19)20/h3-10,18H,2,11-12H2,1H3,(H2,17,19,20).
What are the key properties of [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide?
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 62391957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).