5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide

C12H19ClN2O2S — CID 82885171

IUPAC5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)cc(CNC)c1C
InChIInChI=1S/C12H19ClN2O2S/c1-4-5-15-18(16,17)12-7-11(13)6-10(8-14-3)9(12)2/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyJXDNRCTZGGTURZ-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.06
Rot. Bonds6

About 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide

5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide (PubChem CID 82885171) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
PubChem CID82885171
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)cc(CNC)c1C
InChIInChI=1S/C12H19ClN2O2S/c1-4-5-15-18(16,17)12-7-11(13)6-10(8-14-3)9(12)2/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyJXDNRCTZGGTURZ-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-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093222
N-butyl-5-chloro-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891312
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884539
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254
3-(aminomethyl)-5-chloro-N-(2-ethoxyethyl)-2-methylbenzenesulfonamide
CID 106020144
5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879383
3-(aminomethyl)-N-(2-butoxyethyl)-5-chloro-2-methylbenzenesulfonamide
CID 106017638
5-chloro-N-(2,2-difluoroethyl)-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885091
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide (CID 82885171) is 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(Cl)cc(CNC)c1C.
What is the InChIKey of 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide?
The InChIKey is JXDNRCTZGGTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-5-15-18(16,17)12-7-11(13)6-10(8-14-3)9(12)2/h6-7,14-15H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide?
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide 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-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 82885171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).