2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride

C14H24ClN3O4S2 — CID 120707833

IUPAC2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-17(2)23(20,21)14-8-4-3-7-13(14)22(18,19)16-11-12-6-5-9-15-10-12;/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3;1H
InChIKeyMBEJOWQLOOMGPV-UHFFFAOYSA-N
MW397.95 g/mol
LogP0.64
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride

2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride (PubChem CID 120707833) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
PubChem CID120707833
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC Name2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-17(2)23(20,21)14-8-4-3-7-13(14)22(18,19)16-11-12-6-5-9-15-10-12;/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3;1H
InChIKeyMBEJOWQLOOMGPV-UHFFFAOYSA-N
XLogP0.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 91647295
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
3-chloro-2-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968274
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
N,N-dimethyl-2-(piperidin-3-ylamino)benzenesulfonamide
CID 55203561
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
3-(dimethylsulfamoyl)-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119461586
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride (CID 120707833) is 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride?
The InChIKey is MBEJOWQLOOMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c1-17(2)23(20,21)14-8-4-3-7-13(14)22(18,19)16-11-12-6-5-9-15-10-12;/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3;1H.
What are the key properties of 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride?
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride is sourced from PubChem (CID 120707833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).