N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide

C16H20N2O2S — CID 43606467

IUPACN-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide
SMILESCCNCc1ccccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-17-12-15-10-6-7-11-16(15)18-21(19,20)13-14-8-4-3-5-9-14/h3-11,17-18H,2,12-13H2,1H3
InChIKeyNMVFLBYFUKGRRQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide

N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 43606467) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID43606467
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide
SMILESCCNCc1ccccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-17-12-15-10-6-7-11-16(15)18-21(19,20)13-14-8-4-3-5-9-14/h3-11,17-18H,2,12-13H2,1H3
InChIKeyNMVFLBYFUKGRRQ-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-benzylethanamine;trimethylsilane
CID 173401135
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
2-(ethylaminomethyl)phenol
CID 12995218
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide (CID 43606467) is N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide is CCNCc1ccccc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is NMVFLBYFUKGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-17-12-15-10-6-7-11-16(15)18-21(19,20)13-14-8-4-3-5-9-14/h3-11,17-18H,2,12-13H2,1H3.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide?
N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 43606467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).