N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide

C22H25N3O5S — CID 20647073

IUPACN-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(C[C@H]2COc3ccc4occc4c3O2)CC1)c1cccnc1
InChIInChI=1S/C22H25N3O5S/c26-31(27,18-2-1-8-23-13-18)24-12-16-5-9-25(10-6-16)14-17-15-29-21-4-3-20-19(7-11-28-20)22(21)30-17/h1-4,7-8,11,13,16-17,24H,5-6,9-10,12,14-15H2/t17-/m0/s1
InChIKeyIUUWVATZWFAFKW-KRWDZBQOSA-N
MW443.53 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide

N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide (PubChem CID 20647073) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide
PubChem CID20647073
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(C[C@H]2COc3ccc4occc4c3O2)CC1)c1cccnc1
InChIInChI=1S/C22H25N3O5S/c26-31(27,18-2-1-8-23-13-18)24-12-16-5-9-25(10-6-16)14-17-15-29-21-4-3-20-19(7-11-28-20)22(21)30-17/h1-4,7-8,11,13,16-17,24H,5-6,9-10,12,14-15H2/t17-/m0/s1
InChIKeyIUUWVATZWFAFKW-KRWDZBQOSA-N
XLogP2.66
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23284832
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 23284834
N-[[1-[[(3S)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]-2,3-dichlorobenzenesulfonamide
CID 54463305
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2-amino-N-[[1-[[(3S)-5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 18391156
2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887922
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
CID 130214962
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide (CID 20647073) is N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1CCN(C[C@H]2COc3ccc4occc4c3O2)CC1)c1cccnc1.
What is the InChIKey of N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is IUUWVATZWFAFKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N3O5S/c26-31(27,18-2-1-8-23-13-18)24-12-16-5-9-25(10-6-16)14-17-15-29-21-4-3-20-19(7-11-28-20)22(21)30-17/h1-4,7-8,11,13,16-17,24H,5-6,9-10,12,14-15H2/t17-/m0/s1.
What are the key properties of N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide?
N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 443.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(2S)-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-2-yl]methyl]piperidin-4-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 20647073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).