2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C15H25ClN2O4S2 — CID 119976755

IUPAC2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C.Cl
InChIInChI=1S/C15H24N2O4S2.ClH/c1-4-9-17(13-7-8-16-11-13)23(20,21)15-10-14(22(3,18)19)6-5-12(15)2;/h5-6,10,13,16H,4,7-9,11H2,1-3H3;1H
InChIKeyOCMZGDOZFGTHIW-UHFFFAOYSA-N
MW396.96 g/mol
LogP1.58
Rot. Bonds6

About 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119976755) has the molecular formula C15H25ClN2O4S2 and a molecular weight of 396.96 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119976755
Molecular FormulaC15H25ClN2O4S2
Molecular Weight396.96 g/mol
Exact Mass396.09
IUPAC Name2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C.Cl
InChIInChI=1S/C15H24N2O4S2.ClH/c1-4-9-17(13-7-8-16-11-13)23(20,21)15-10-14(22(3,18)19)6-5-12(15)2;/h5-6,10,13,16H,4,7-9,11H2,1-3H3;1H
InChIKeyOCMZGDOZFGTHIW-UHFFFAOYSA-N
XLogP1.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119976755) is 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C.Cl.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is OCMZGDOZFGTHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2.ClH/c1-4-9-17(13-7-8-16-11-13)23(20,21)15-10-14(22(3,18)19)6-5-12(15)2;/h5-6,10,13,16H,4,7-9,11H2,1-3H3;1H.
What are the key properties of 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).