5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide

C12H19ClN2O2S — CID 82885173

IUPAC5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NCC)c1C
InChIInChI=1S/C12H19ClN2O2S/c1-4-14-8-10-6-11(13)7-12(9(10)3)18(16,17)15-5-2/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyTYGOBQYPBTVKDJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.06
Rot. Bonds6

About 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide

5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide (PubChem CID 82885173) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
PubChem CID82885173
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NCC)c1C
InChIInChI=1S/C12H19ClN2O2S/c1-4-14-8-10-6-11(13)7-12(9(10)3)18(16,17)15-5-2/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyTYGOBQYPBTVKDJ-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,2-difluoroethyl)-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885091
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
5-chloro-3-(ethylaminomethyl)-2-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 82885354
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
CID 82878757
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
N-butyl-5-chloro-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891312
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059219
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82878613
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide (CID 82885173) is 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide is CCNCc1cc(Cl)cc(S(=O)(=O)NCC)c1C.
What is the InChIKey of 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The InChIKey is TYGOBQYPBTVKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-14-8-10-6-11(13)7-12(9(10)3)18(16,17)15-5-2/h6-7,14-15H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 82885173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).