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

C20H24Cl2N2O4S — CID 25042420

IUPAC3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(OCCO)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S/c21-19-6-5-18(13-20(19)22)29(26,27)23-16-7-9-24(10-8-16)14-15-1-3-17(4-2-15)28-12-11-25/h1-6,13,16,23,25H,7-12,14H2
InChIKeyGVGGTHGUUXDBOF-UHFFFAOYSA-N
MW459.40 g/mol
LogP3.31
Rot. Bonds8

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

3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 25042420) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID25042420
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC Name3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(OCCO)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S/c21-19-6-5-18(13-20(19)22)29(26,27)23-16-7-9-24(10-8-16)14-15-1-3-17(4-2-15)28-12-11-25/h1-6,13,16,23,25H,7-12,14H2
InChIKeyGVGGTHGUUXDBOF-UHFFFAOYSA-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

4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 25041633
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
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 25044708
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
CID 25045018
N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
2-chloro-N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 25042431
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide (CID 25042420) is 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccc(OCCO)cc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is GVGGTHGUUXDBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c21-19-6-5-18(13-20(19)22)29(26,27)23-16-7-9-24(10-8-16)14-15-1-3-17(4-2-15)28-12-11-25/h1-6,13,16,23,25H,7-12,14H2.
What are the key properties of 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-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 3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 25042420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).