N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide

C23H23FN4O4S — CID 6624309

IUPACN-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1
InChIInChI=1S/C23H23FN4O4S/c1-32-21-6-8-22(9-7-21)33(30,31)26-19-14-17(15-25-16-19)23(29)28-12-10-27(11-13-28)20-4-2-18(24)3-5-20/h2-9,14-16,26H,10-13H2,1H3
InChIKeyHKDNGIGHIUFHFV-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.99
Rot. Bonds6

About N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide

N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 6624309) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID6624309
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC NameN-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1
InChIInChI=1S/C23H23FN4O4S/c1-32-21-6-8-22(9-7-21)33(30,31)26-19-14-17(15-25-16-19)23(29)28-12-10-27(11-13-28)20-4-2-18(24)3-5-20/h2-9,14-16,26H,10-13H2,1H3
InChIKeyHKDNGIGHIUFHFV-UHFFFAOYSA-N
XLogP2.99
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Way-151693
CID 4368
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2981499
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 2710693
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
CID 3618549
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxyphenylsulfonyl) piperazine-1-carbonyl)picolinamide
CID 56651002
5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 56684219
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 89768344
US10370333, Example XIII-5
CID 89768408
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-ethylpyridine-3-carboxamide
CID 89768486
US10370333, Example XII-19
CID 89775258

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 6624309) is N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1.
What is the InChIKey of N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is HKDNGIGHIUFHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-32-21-6-8-22(9-7-21)33(30,31)26-19-14-17(15-25-16-19)23(29)28-12-10-27(11-13-28)20-4-2-18(24)3-5-20/h2-9,14-16,26H,10-13H2,1H3.
What are the key properties of N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 470.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6624309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).