N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide

C18H22N2O4S2 — CID 1231838

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H22N2O4S2/c21-25(22,17-7-3-1-4-8-17)19-15-16-11-13-20(14-12-16)26(23,24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKeyUTXPEQKGBCDERP-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.07
Rot. Bonds6

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 1231838) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID1231838
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H22N2O4S2/c21-25(22,17-7-3-1-4-8-17)19-15-16-11-13-20(14-12-16)26(23,24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKeyUTXPEQKGBCDERP-UHFFFAOYSA-N
XLogP2.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 1231838) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is UTXPEQKGBCDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c21-25(22,17-7-3-1-4-8-17)19-15-16-11-13-20(14-12-16)26(23,24)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2.
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1231838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).