5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

C25H29ClFN5O3S — CID 130302764

IUPAC5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)c1
InChIInChI=1S/C25H29ClFN5O3S/c1-17(2)32-10-8-31(9-11-32)16-18-4-5-21(22(27)12-18)23-14-20(6-7-28-23)30-36(33,34)24-13-19(26)15-29-25(24)35-3/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,28,30)
InChIKeyNSWQHMSPRAPORY-UHFFFAOYSA-N
MW534.06 g/mol
LogP4.27
Rot. Bonds8

About 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 130302764) has the molecular formula C25H29ClFN5O3S and a molecular weight of 534.06 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
PubChem CID130302764
Molecular FormulaC25H29ClFN5O3S
Molecular Weight534.06 g/mol
Exact Mass533.17
IUPAC Name5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)c1
InChIInChI=1S/C25H29ClFN5O3S/c1-17(2)32-10-8-31(9-11-32)16-18-4-5-21(22(27)12-18)23-14-20(6-7-28-23)30-36(33,34)24-13-19(26)15-29-25(24)35-3/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,28,30)
InChIKeyNSWQHMSPRAPORY-UHFFFAOYSA-N
XLogP4.27
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 130332651
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
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-[(5-bromo-2-methoxy-3-pyridinyl)sulfanyl]-2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine
CID 145350608
N-[2-[2-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302703
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539863
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
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-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302663
2-[2,6-difluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-5-morpholin-4-yl-3-pyridinyl)sulfanyl]pyridin-4-amine
CID 130332613
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-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 130302764) is 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)cc2F)c1.
What is the InChIKey of 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is NSWQHMSPRAPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O3S/c1-17(2)32-10-8-31(9-11-32)16-18-4-5-21(22(27)12-18)23-14-20(6-7-28-23)30-36(33,34)24-13-19(26)15-29-25(24)35-3/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,28,30).
What are the key properties of 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 534.06 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 130302764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).