N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide

C19H28N4O4S — CID 25044708

IUPACN-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2)cn1C
InChIInChI=1S/C19H28N4O4S/c1-15-20-19(14-22(15)2)28(25,26)21-17-7-9-23(10-8-17)13-16-3-5-18(6-4-16)27-12-11-24/h3-6,14,17,21,24H,7-13H2,1-2H3
InChIKeyZYDWFYJJCZQVLP-UHFFFAOYSA-N
MW408.52 g/mol
LogP1.04
Rot. Bonds8

About N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide

N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 25044708) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID25044708
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2)cn1C
InChIInChI=1S/C19H28N4O4S/c1-15-20-19(14-22(15)2)28(25,26)21-17-7-9-23(10-8-17)13-16-3-5-18(6-4-16)27-12-11-24/h3-6,14,17,21,24H,7-13H2,1-2H3
InChIKeyZYDWFYJJCZQVLP-UHFFFAOYSA-N
XLogP1.04
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 25041633
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25042420
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063676
4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138385563
N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
CID 25045018
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide (CID 25044708) is N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCN(Cc3ccc(OCCO)cc3)CC2)cn1C.
What is the InChIKey of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is ZYDWFYJJCZQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-15-20-19(14-22(15)2)28(25,26)21-17-7-9-23(10-8-17)13-16-3-5-18(6-4-16)27-12-11-24/h3-6,14,17,21,24H,7-13H2,1-2H3.
What are the key properties of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 408.52 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 25044708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).