5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide

C13H21ClN2O2S2 — CID 115988257

IUPAC5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)N(C)CCSC)c1C
InChIInChI=1S/C13H21ClN2O2S2/c1-10-11(9-15-2)7-12(14)8-13(10)20(17,18)16(3)5-6-19-4/h7-8,15H,5-6,9H2,1-4H3
InChIKeyUIMNFLWYBBXQNZ-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.35
Rot. Bonds7

About 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide

5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 115988257) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID115988257
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC Name5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)N(C)CCSC)c1C
InChIInChI=1S/C13H21ClN2O2S2/c1-10-11(9-15-2)7-12(14)8-13(10)20(17,18)16(3)5-6-19-4/h7-8,15H,5-6,9H2,1-4H3
InChIKeyUIMNFLWYBBXQNZ-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82879498
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 82885260
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884539
N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 112667287
5-chloro-3-(hydroxymethyl)-2-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988101
2,5-dichloro-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985502
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879348
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093222

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 115988257) is 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)N(C)CCSC)c1C.
What is the InChIKey of 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is UIMNFLWYBBXQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S2/c1-10-11(9-15-2)7-12(14)8-13(10)20(17,18)16(3)5-6-19-4/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 336.91 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 115988257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).