N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

C19H14ClF2N5O3S — CID 156833302

IUPACN-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(N)n[nH]c3c2)c1F
InChIInChI=1S/C19H14ClF2N5O3S/c1-30-19-15(7-10(20)8-24-19)31(28,29)27-13-5-4-12(21)16(17(13)22)9-2-3-11-14(6-9)25-26-18(11)23/h2-8,27H,1H3,(H3,23,25,26)
InChIKeyOEIMBCLIYKTIAX-UHFFFAOYSA-N
MW465.87 g/mol
LogP3.95
Rot. Bonds5

About N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (PubChem CID 156833302) has the molecular formula C19H14ClF2N5O3S and a molecular weight of 465.87 g/mol. Its IUPAC name is N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
PubChem CID156833302
Molecular FormulaC19H14ClF2N5O3S
Molecular Weight465.87 g/mol
Exact Mass465.05
IUPAC NameN-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(N)n[nH]c3c2)c1F
InChIInChI=1S/C19H14ClF2N5O3S/c1-30-19-15(7-10(20)8-24-19)31(28,29)27-13-5-4-12(21)16(17(13)22)9-2-3-11-14(6-9)25-26-18(11)23/h2-8,27H,1H3,(H3,23,25,26)
InChIKeyOEIMBCLIYKTIAX-UHFFFAOYSA-N
XLogP3.95
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.87
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167250860
5-chloro-N-[2,4-difluoro-3-[1-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593757
5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-[(2-hydroxyethylamino)methyl]-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 167251027
5-chloro-N-[2,4-difluoro-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 156832891
2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide
CID 166048165
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164934668
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167250865
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 164594009
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251058
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-methoxy-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594101
N-[3-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (CID 156833302) is N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(N)n[nH]c3c2)c1F.
What is the InChIKey of N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The InChIKey is OEIMBCLIYKTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O3S/c1-30-19-15(7-10(20)8-24-19)31(28,29)27-13-5-4-12(21)16(17(13)22)9-2-3-11-14(6-9)25-26-18(11)23/h2-8,27H,1H3,(H3,23,25,26).
What are the key properties of N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide has a molecular weight of 465.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 156833302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).