4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide

C15H25N3O4S2 — CID 1158593

IUPAC4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C15H25N3O4S2/c1-14(2)9-11(10-15(3,4)18-14)17-24(21,22)13-7-5-12(6-8-13)23(16,19)20/h5-8,11,17-18H,9-10H2,1-4H3,(H2,16,19,20)
InChIKeyMHPTVOROZBQTHM-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.92
Rot. Bonds4

About 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide

4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide (PubChem CID 1158593) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide
PubChem CID1158593
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC Name4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C15H25N3O4S2/c1-14(2)9-11(10-15(3,4)18-14)17-24(21,22)13-7-5-12(6-8-13)23(16,19)20/h5-8,11,17-18H,9-10H2,1-4H3,(H2,16,19,20)
InChIKeyMHPTVOROZBQTHM-UHFFFAOYSA-N
XLogP0.92
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850001
4-tert-Butyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1085514
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 825437
N-(2-Methyl-cyclohexyl)-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645768
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
CID 3185256
4-(4-Cyclopentyl-piperazine-1-sulfonyl)-N-isobutyl-benzenesulfonamide
CID 24793341
4-Ethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 700216
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 874478
N-Cyclopropyl-N-4-piperidinylbenzenesulfonamide
CID 2735904
4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopropyl-benzenesulfonamide
CID 653596
N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 728839
1-(4-Methylbenzenesulfonyl)piperidin-4-amine
CID 4778225

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide (CID 1158593) is 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide is CC1(C)CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1.
What is the InChIKey of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide?
The InChIKey is MHPTVOROZBQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-14(2)9-11(10-15(3,4)18-14)17-24(21,22)13-7-5-12(6-8-13)23(16,19)20/h5-8,11,17-18H,9-10H2,1-4H3,(H2,16,19,20).
What are the key properties of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide?
4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide has a molecular weight of 375.52 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-disulfonamide is sourced from PubChem (CID 1158593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).