N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide

C23H24ClFN4O3S — CID 86764873

IUPACN-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCOc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccc(C)c(F)c4)cc3Cl)CC2)c1
InChIInChI=1S/C23H24ClFN4O3S/c1-16-6-7-20(14-22(16)25)33(30,31)27-17-12-21(24)23(26-15-17)29-10-8-28(9-11-29)18-4-3-5-19(13-18)32-2/h3-7,12-15,27H,8-11H2,1-2H3
InChIKeyPAXNFFFIJYZGKB-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.32
Rot. Bonds6

About N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide

N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 86764873) has the molecular formula C23H24ClFN4O3S and a molecular weight of 490.99 g/mol. Its IUPAC name is N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide
PubChem CID86764873
Molecular FormulaC23H24ClFN4O3S
Molecular Weight490.99 g/mol
Exact Mass490.12
IUPAC NameN-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCOc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccc(C)c(F)c4)cc3Cl)CC2)c1
InChIInChI=1S/C23H24ClFN4O3S/c1-16-6-7-20(14-22(16)25)33(30,31)27-17-12-21(24)23(26-15-17)29-10-8-28(9-11-29)18-4-3-5-19(13-18)32-2/h3-7,12-15,27H,8-11H2,1-2H3
InChIKeyPAXNFFFIJYZGKB-UHFFFAOYSA-N
XLogP4.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide with MolForge

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Related Compounds

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 146613773
US10227338, Example 118
CID 129135756
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 164611706
9-Chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11654582
8-Chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11690189
9-Chloro-11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 11502554
N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
CID 118724124
3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
CID 118724125
3-amino-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
CID 118724127
(S)-2-chloro-N-(2-fluoro-3-((3-(2-(piperidin-3-ylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)phenyl)benzenesulfonamide
CID 146528172
2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4-(dimethylamino)cyclohexyl)amino)pyrimidin-5-yl)vinyl)-2-fluoro-5-methoxyphenyl)benzenesulfonamide
CID 146849007
2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4-(dimethylamino)cyclohexyl)amino)pyrimidin-5-yl)vinyl)-2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 148833989

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide (CID 86764873) is N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide is COc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccc(C)c(F)c4)cc3Cl)CC2)c1.
What is the InChIKey of N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is PAXNFFFIJYZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3S/c1-16-6-7-20(14-22(16)25)33(30,31)27-17-12-21(24)23(26-15-17)29-10-8-28(9-11-29)18-4-3-5-19(13-18)32-2/h3-7,12-15,27H,8-11H2,1-2H3.
What are the key properties of N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide?
N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide has a molecular weight of 490.99 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 86764873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).