1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride

C13H22ClN3O4S2 — CID 120874426

IUPAC1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCNCC2)cc1C.Cl
InChIInChI=1S/C13H21N3O4S2.ClH/c1-10-9-12(3-4-13(10)22(19,20)14-2)21(17,18)16-11-5-7-15-8-6-11;/h3-4,9,11,14-16H,5-8H2,1-2H3;1H
InChIKeyREMPBRPKBWASFP-UHFFFAOYSA-N
MW383.92 g/mol
LogP0.36
Rot. Bonds5

About 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride

1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride (PubChem CID 120874426) has the molecular formula C13H22ClN3O4S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride.

Molecular Properties

Compound Name1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
PubChem CID120874426
Molecular FormulaC13H22ClN3O4S2
Molecular Weight383.92 g/mol
Exact Mass383.07
IUPAC Name1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCNCC2)cc1C.Cl
InChIInChI=1S/C13H21N3O4S2.ClH/c1-10-9-12(3-4-13(10)22(19,20)14-2)21(17,18)16-11-5-7-15-8-6-11;/h3-4,9,11,14-16H,5-8H2,1-2H3;1H
InChIKeyREMPBRPKBWASFP-UHFFFAOYSA-N
XLogP0.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62380980
3-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967226
4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide
CID 166183381
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride?
The IUPAC name of 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride (CID 120874426) is 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride.
What is the SMILES notation for 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride?
The canonical SMILES for 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCNCC2)cc1C.Cl.
What is the InChIKey of 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride?
The InChIKey is REMPBRPKBWASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2.ClH/c1-10-9-12(3-4-13(10)22(19,20)14-2)21(17,18)16-11-5-7-15-8-6-11;/h3-4,9,11,14-16H,5-8H2,1-2H3;1H.
What are the key properties of 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride?
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride is sourced from PubChem (CID 120874426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).