2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide

C14H24N2O4S2 — CID 120716036

IUPAC2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C
InChIInChI=1S/C14H24N2O4S2/c1-5-6-15-7-8-16-22(19,20)14-10-11(2)9-13(12(14)3)21(4,17)18/h9-10,15-16H,5-8H2,1-4H3
InChIKeyYKOSVLDAULYQNU-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.98
Rot. Bonds8

About 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide

2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 120716036) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID120716036
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC Name2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C
InChIInChI=1S/C14H24N2O4S2/c1-5-6-15-7-8-16-22(19,20)14-10-11(2)9-13(12(14)3)21(4,17)18/h9-10,15-16H,5-8H2,1-4H3
InChIKeyYKOSVLDAULYQNU-UHFFFAOYSA-N
XLogP0.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
3-fluoro-4-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716059
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
5-bromo-2-methoxy-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715849
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
6-methyl-N-[2-(propylamino)ethyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876034
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide (CID 120716036) is 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCNS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C.
What is the InChIKey of 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is YKOSVLDAULYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-5-6-15-7-8-16-22(19,20)14-10-11(2)9-13(12(14)3)21(4,17)18/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 120716036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).