N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide

C26H31FN2O3S — CID 178110603

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
SMILESCOCCN(CC1CCCN(Cc2ccc(F)cc2)C1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H31FN2O3S/c1-32-16-15-29(33(30,31)26-13-10-23-6-2-3-7-24(23)17-26)20-22-5-4-14-28(19-22)18-21-8-11-25(27)12-9-21/h2-3,6-13,17,22H,4-5,14-16,18-20H2,1H3
InChIKeyMULUQLJHANHRID-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.53
Rot. Bonds9

About N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide

N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide (PubChem CID 178110603) has the molecular formula C26H31FN2O3S and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
PubChem CID178110603
Molecular FormulaC26H31FN2O3S
Molecular Weight470.61 g/mol
Exact Mass470.20
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
SMILESCOCCN(CC1CCCN(Cc2ccc(F)cc2)C1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H31FN2O3S/c1-32-16-15-29(33(30,31)26-13-10-23-6-2-3-7-24(23)17-26)20-22-5-4-14-28(19-22)18-21-8-11-25(27)12-9-21/h2-3,6-13,17,22H,4-5,14-16,18-20H2,1H3
InChIKeyMULUQLJHANHRID-UHFFFAOYSA-N
XLogP4.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide
CID 178110631
N-[[1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
CID 178110608
N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
CID 134133379
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 178110613
N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 59098125
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-(2-fluoroethyl)-4-methylbenzenesulfonamide
CID 14307755
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 178110665
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide (CID 178110603) is N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide is COCCN(CC1CCCN(Cc2ccc(F)cc2)C1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
The InChIKey is MULUQLJHANHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O3S/c1-32-16-15-29(33(30,31)26-13-10-23-6-2-3-7-24(23)17-26)20-22-5-4-14-28(19-22)18-21-8-11-25(27)12-9-21/h2-3,6-13,17,22H,4-5,14-16,18-20H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide has a molecular weight of 470.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 178110603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).