N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide

C16H20N2O2S — CID 43606244

IUPACN-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-3-17-12-14-5-4-6-15(11-14)18-21(19,20)16-9-7-13(2)8-10-16/h4-11,17-18H,3,12H2,1-2H3
InChIKeyDORYCQMAHOYEFO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide

N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 43606244) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID43606244
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-3-17-12-14-5-4-6-15(11-14)18-21(19,20)16-9-7-13(2)8-10-16/h4-11,17-18H,3,12H2,1-2H3
InChIKeyDORYCQMAHOYEFO-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191
5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 79998136
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710205
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide (CID 43606244) is N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide is CCNCc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DORYCQMAHOYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-17-12-14-5-4-6-15(11-14)18-21(19,20)16-9-7-13(2)8-10-16/h4-11,17-18H,3,12H2,1-2H3.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide?
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 43606244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).