5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

C11H17ClN2O2S — CID 120825383

IUPAC5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H17ClN2O2S/c1-8-4-5-10(12)6-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyYLQNHAXOYVUSNA-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.53
Rot. Bonds5

About 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120825383) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120825383
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H17ClN2O2S/c1-8-4-5-10(12)6-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyYLQNHAXOYVUSNA-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
2-amino-5-chloro-N-[2-(methylamino)propyl]pyridine-3-sulfonamide
CID 120824575
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120825383) is 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is YLQNHAXOYVUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8-4-5-10(12)6-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120825383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).