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

C22H22ClFN4O3S — CID 130332651

IUPAC5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCCC3)cc2F)c1
InChIInChI=1S/C22H22ClFN4O3S/c1-31-22-21(11-16(23)13-26-22)32(29,30)27-17-6-7-25-20(12-17)18-5-4-15(10-19(18)24)14-28-8-2-3-9-28/h4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,27)
InChIKeyVLOTVEASNAOOOL-UHFFFAOYSA-N
MW476.96 g/mol
LogP4.34
Rot. Bonds7

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

5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 130332651) has the molecular formula C22H22ClFN4O3S and a molecular weight of 476.96 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
PubChem CID130332651
Molecular FormulaC22H22ClFN4O3S
Molecular Weight476.96 g/mol
Exact Mass476.11
IUPAC Name5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCCC3)cc2F)c1
InChIInChI=1S/C22H22ClFN4O3S/c1-31-22-21(11-16(23)13-26-22)32(29,30)27-17-6-7-25-20(12-17)18-5-4-15(10-19(18)24)14-28-8-2-3-9-28/h4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,27)
InChIKeyVLOTVEASNAOOOL-UHFFFAOYSA-N
XLogP4.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 130302764
N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130332656
N-[2-[2-fluoro-4-(piperazin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130332501
N-[2-[2-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302703
N-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302663
2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-[(2-methoxy-5-morpholin-4-yl-3-pyridinyl)sulfanyl]pyridin-4-amine
CID 130332573
N-[2-[2,6-difluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302685
2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
CID 130302803
N-[(5-chloro-2-methoxy-3-pyridinyl)sulfanyl]-2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-4-amine
CID 130332572
N-[(5-bromo-2-methoxy-3-pyridinyl)sulfanyl]-2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine
CID 145350608
2-methoxy-5-morpholin-4-yl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164621493
N-[5-[2-fluoro-4-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]phenyl]-3-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 137442765

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 130332651) is 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCCC3)cc2F)c1.
What is the InChIKey of 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is VLOTVEASNAOOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O3S/c1-31-22-21(11-16(23)13-26-22)32(29,30)27-17-6-7-25-20(12-17)18-5-4-15(10-19(18)24)14-28-8-2-3-9-28/h4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,27).
What are the key properties of 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[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 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 130332651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).