2-[benzyl(ethyl)amino]benzenesulfonyl chloride

C15H16ClNO2S — CID 19798141

IUPAC2-[benzyl(ethyl)amino]benzenesulfonyl chloride
SMILESCCN(Cc1ccccc1)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C15H16ClNO2S/c1-2-17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)20(16,18)19/h3-11H,2,12H2,1H3
InChIKeyYKWLZSIEWIVBBO-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.64
Rot. Bonds5

About 2-[benzyl(ethyl)amino]benzenesulfonyl chloride

2-[benzyl(ethyl)amino]benzenesulfonyl chloride (PubChem CID 19798141) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]benzenesulfonyl chloride
PubChem CID19798141
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-[benzyl(ethyl)amino]benzenesulfonyl chloride
SMILESCCN(Cc1ccccc1)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C15H16ClNO2S/c1-2-17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)20(16,18)19/h3-11H,2,12H2,1H3
InChIKeyYKWLZSIEWIVBBO-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-bromoethyl)-2-methylsulfonylaniline
CID 80675061
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
CID 79466847
1-N-benzyl-1-N-ethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831949
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 113222214
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
3-[benzyl(ethyl)amino]-5-methylbenzenesulfonic acid
CID 101317585
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154
N,N-dibenzylaniline
CID 139071697
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-[benzyl(ethyl)amino]benzenesulfonyl chloride (CID 19798141) is 2-[benzyl(ethyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-[benzyl(ethyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-[benzyl(ethyl)amino]benzenesulfonyl chloride is CCN(Cc1ccccc1)c1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-[benzyl(ethyl)amino]benzenesulfonyl chloride?
The InChIKey is YKWLZSIEWIVBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-2-17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)20(16,18)19/h3-11H,2,12H2,1H3.
What are the key properties of 2-[benzyl(ethyl)amino]benzenesulfonyl chloride?
2-[benzyl(ethyl)amino]benzenesulfonyl chloride has a molecular weight of 309.82 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 19798141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).