N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide

C26H28FN3O4S — CID 71689976

IUPACN-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28FN3O4S/c1-34-23-11-13-24(14-12-23)35(32,33)28-25(21-5-3-2-4-6-21)26(31)30-17-15-29(16-18-30)19-20-7-9-22(27)10-8-20/h2-14,25,28H,15-19H2,1H3
InChIKeyMATKDZHVJZYQFR-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.20
Rot. Bonds8

About N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide

N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide (PubChem CID 71689976) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide
PubChem CID71689976
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC NameN-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28FN3O4S/c1-34-23-11-13-24(14-12-23)35(32,33)28-25(21-5-3-2-4-6-21)26(31)30-17-15-29(16-18-30)19-20-7-9-22(27)10-8-20/h2-14,25,28H,15-19H2,1H3
InChIKeyMATKDZHVJZYQFR-UHFFFAOYSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-[(2S)-1-oxo-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 55938379
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 4108947
N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzenesulfonamide
CID 30143645
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
CID 15991705
(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 30390452
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724365
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide (CID 71689976) is N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide?
The InChIKey is MATKDZHVJZYQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-34-23-11-13-24(14-12-23)35(32,33)28-25(21-5-3-2-4-6-21)26(31)30-17-15-29(16-18-30)19-20-7-9-22(27)10-8-20/h2-14,25,28H,15-19H2,1H3.
What are the key properties of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide?
N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide has a molecular weight of 497.59 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71689976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).