2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide

C20H24Cl2N2O4S — CID 25045018

IUPAC2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H24Cl2N2O4S/c21-16-5-8-19(22)20(12-16)29(26,27)23-17-2-1-9-24(14-17)13-15-3-6-18(7-4-15)28-11-10-25/h3-8,12,17,23,25H,1-2,9-11,13-14H2/t17-/m1/s1
InChIKeyKNVMSXBKMVMWEI-QGZVFWFLSA-N
MW459.40 g/mol
LogP3.31
Rot. Bonds8

About 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide

2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide (PubChem CID 25045018) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
PubChem CID25045018
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC Name2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H24Cl2N2O4S/c21-16-5-8-19(22)20(12-16)29(26,27)23-17-2-1-9-24(14-17)13-15-3-6-18(7-4-15)28-11-10-25/h3-8,12,17,23,25H,1-2,9-11,13-14H2/t17-/m1/s1
InChIKeyKNVMSXBKMVMWEI-QGZVFWFLSA-N
XLogP3.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
2-chloro-N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 25042431
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
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
3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25042420
(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25283002
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 25041633
N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
CID 25044705
5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
CID 25037618
N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide (CID 25045018) is 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide?
The InChIKey is KNVMSXBKMVMWEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c21-16-5-8-19(22)20(12-16)29(26,27)23-17-2-1-9-24(14-17)13-15-3-6-18(7-4-15)28-11-10-25/h3-8,12,17,23,25H,1-2,9-11,13-14H2/t17-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide?
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide has a molecular weight of 459.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 25045018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).