5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

C22H22ClFN4O3S — CID 130302555

IUPAC5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1nc(-c2ccnc(-c3ccc(CN4CCCC4)cc3F)c2)c(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C22H22ClFN4O3S/c1-31-22-20(32(25,29)30)12-17(23)21(27-22)15-6-7-26-19(11-15)16-5-4-14(10-18(16)24)13-28-8-2-3-9-28/h4-7,10-12H,2-3,8-9,13H2,1H3,(H2,25,29,30)
InChIKeyLACYHHAOLQLDNW-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.85
Rot. Bonds6

About 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 130302555) has the molecular formula C22H22ClFN4O3S and a molecular weight of 476.96 g/mol. Its IUPAC name is 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
PubChem CID130302555
Molecular FormulaC22H22ClFN4O3S
Molecular Weight476.96 g/mol
Exact Mass476.11
IUPAC Name5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1nc(-c2ccnc(-c3ccc(CN4CCCC4)cc3F)c2)c(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C22H22ClFN4O3S/c1-31-22-20(32(25,29)30)12-17(23)21(27-22)15-6-7-26-19(11-15)16-5-4-14(10-18(16)24)13-28-8-2-3-9-28/h4-7,10-12H,2-3,8-9,13H2,1H3,(H2,25,29,30)
InChIKeyLACYHHAOLQLDNW-UHFFFAOYSA-N
XLogP3.85
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 25002635
1-[1-[(6-methoxy-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 57522266
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164621471
4-(3-(5-Chloro-6-methoxypyridin-3-yl)phenylsulfonamido)pyridine-3-sulfonamide
CID 57751079
1-[5-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559438
1-[1-(3-chlorophenyl)sulfonyl-5-[2-fluoro-4-(oxan-4-ylmethoxy)phenyl]pyrrol-3-yl]-N-methylmethanamine
CID 169559443
1-[5-[4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559488
1-[5-[4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559540
1-[5-(2-fluoro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559550
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67084001
N-[(1R)-1-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 67245692
tert-butyl ({5-(2-chloropyridin-3-yl)-4-fluoro-1-[(3-methoxyphenyl)sulfonyl]-1H-pyrrol-3-yl}methyl)methylcarbamate
CID 86623993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 130302555) is 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1nc(-c2ccnc(-c3ccc(CN4CCCC4)cc3F)c2)c(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is LACYHHAOLQLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O3S/c1-31-22-20(32(25,29)30)12-17(23)21(27-22)15-6-7-26-19(11-15)16-5-4-14(10-18(16)24)13-28-8-2-3-9-28/h4-7,10-12H,2-3,8-9,13H2,1H3,(H2,25,29,30).
What are the key properties of 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 476.96 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 130302555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).