N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide

C16H25N3O4S2 — CID 119960493

IUPACN-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O4S2/c20-24(21,18-14-7-9-17-10-8-14)15-5-4-6-16(13-15)25(22,23)19-11-2-1-3-12-19/h4-6,13-14,17-18H,1-3,7-12H2
InChIKeyWGEXXXMVTSNGPC-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.89
Rot. Bonds5

About N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide

N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 119960493) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID119960493
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC NameN-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O4S2/c20-24(21,18-14-7-9-17-10-8-14)15-5-4-6-16(13-15)25(22,23)19-11-2-1-3-12-19/h4-6,13-14,17-18H,1-3,7-12H2
InChIKeyWGEXXXMVTSNGPC-UHFFFAOYSA-N
XLogP0.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-azaspiro[4.5]decan-7-ylsulfonyl)-N-cyclopropylbenzenesulfonamide
CID 127989649
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 25044263
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide (CID 119960493) is N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is WGEXXXMVTSNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c20-24(21,18-14-7-9-17-10-8-14)15-5-4-6-16(13-15)25(22,23)19-11-2-1-3-12-19/h4-6,13-14,17-18H,1-3,7-12H2.
What are the key properties of N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 119960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).