3-(diethylaminomethyl)benzenesulfonyl chloride

C11H16ClNO2S — CID 43363694

IUPAC3-(diethylaminomethyl)benzenesulfonyl chloride
SMILESCCN(CC)Cc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-3-13(4-2)9-10-6-5-7-11(8-10)16(12,14)15/h5-8H,3-4,9H2,1-2H3
InChIKeyGMNNFIRDNXJICP-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.46
Rot. Bonds5

About 3-(diethylaminomethyl)benzenesulfonyl chloride

3-(diethylaminomethyl)benzenesulfonyl chloride (PubChem CID 43363694) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 3-(diethylaminomethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(diethylaminomethyl)benzenesulfonyl chloride
PubChem CID43363694
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name3-(diethylaminomethyl)benzenesulfonyl chloride
SMILESCCN(CC)Cc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-3-13(4-2)9-10-6-5-7-11(8-10)16(12,14)15/h5-8H,3-4,9H2,1-2H3
InChIKeyGMNNFIRDNXJICP-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
3-(tert-butylsulfonylmethyl)benzenesulfonyl chloride
CID 63995083
3-(3-phenylpropyl)benzenesulfonyl chloride
CID 55128748
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
3-[(N-ethyl-3-sulfoanilino)methyl]benzenesulfonic acid
CID 53425538
1-(bromomethyl)-3-methylsulfonylbenzene
CID 22456694
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
methyl 7-(3-chlorosulfonylphenyl)heptanoate
CID 134247439
N-benzyl-N-ethylethanamine;ethene
CID 174895763
3-propylbenzenesulfonyl fluoride
CID 153373581

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)benzenesulfonyl chloride?
The IUPAC name of 3-(diethylaminomethyl)benzenesulfonyl chloride (CID 43363694) is 3-(diethylaminomethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(diethylaminomethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(diethylaminomethyl)benzenesulfonyl chloride is CCN(CC)Cc1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(diethylaminomethyl)benzenesulfonyl chloride?
The InChIKey is GMNNFIRDNXJICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-13(4-2)9-10-6-5-7-11(8-10)16(12,14)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)benzenesulfonyl chloride?
3-(diethylaminomethyl)benzenesulfonyl chloride has a molecular weight of 261.77 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)benzenesulfonyl chloride is sourced from PubChem (CID 43363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).