4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide

C14H23N3O4S2 — CID 175760574

IUPAC4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O4S2/c1-2-11-17(12-7-9-16-10-8-12)23(20,21)14-5-3-13(4-6-14)22(15,18)19/h3-6,12,16H,2,7-11H2,1H3,(H2,15,18,19)
InChIKeyLWOQALHFHKXUAQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.49
Rot. Bonds6

About 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide

4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide (PubChem CID 175760574) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
PubChem CID175760574
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O4S2/c1-2-11-17(12-7-9-16-10-8-12)23(20,21)14-5-3-13(4-6-14)22(15,18)19/h3-6,12,16H,2,7-11H2,1H3,(H2,15,18,19)
InChIKeyLWOQALHFHKXUAQ-UHFFFAOYSA-N
XLogP0.49
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908

Frequently Asked Questions

What is the IUPAC name of 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide (CID 175760574) is 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide?
The InChIKey is LWOQALHFHKXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-2-11-17(12-7-9-16-10-8-12)23(20,21)14-5-3-13(4-6-14)22(15,18)19/h3-6,12,16H,2,7-11H2,1H3,(H2,15,18,19).
What are the key properties of 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide?
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide is sourced from PubChem (CID 175760574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).