5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide

C14H21ClN2O2S2 — CID 106093222

IUPAC5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC2(SC)CC2)c1C
InChIInChI=1S/C14H21ClN2O2S2/c1-10-11(8-16-2)6-12(15)7-13(10)21(18,19)17-9-14(20-3)4-5-14/h6-7,16-17H,4-5,8-9H2,1-3H3
InChIKeyWXHSMPLGHXPAML-UHFFFAOYSA-N
MW348.92 g/mol
LogP2.54
Rot. Bonds7

About 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide

5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 106093222) has the molecular formula C14H21ClN2O2S2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
PubChem CID106093222
Molecular FormulaC14H21ClN2O2S2
Molecular Weight348.92 g/mol
Exact Mass348.07
IUPAC Name5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC2(SC)CC2)c1C
InChIInChI=1S/C14H21ClN2O2S2/c1-10-11(8-16-2)6-12(15)7-13(10)21(18,19)17-9-14(20-3)4-5-14/h6-7,16-17H,4-5,8-9H2,1-3H3
InChIKeyWXHSMPLGHXPAML-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
2,4-dichloro-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093164
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
4-fluoro-3-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093342
5-chloro-2-fluoro-3-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000824
2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090607
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114142660
3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
CID 82879875
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide (CID 106093222) is 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)NCC2(SC)CC2)c1C.
What is the InChIKey of 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is WXHSMPLGHXPAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S2/c1-10-11(8-16-2)6-12(15)7-13(10)21(18,19)17-9-14(20-3)4-5-14/h6-7,16-17H,4-5,8-9H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide?
5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 348.92 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106093222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).