5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride

C20H24Cl3FN4O2S — CID 130302613

IUPAC5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
SMILESCc1c(-c2cncc(S(=O)(=O)N(C)C)c2)c2ccc(Cl)cc2n1C/C(F)=C/CN.Cl.Cl
InChIInChI=1S/C20H22ClFN4O2S.2ClH/c1-13-20(14-8-17(11-24-10-14)29(27,28)25(2)3)18-5-4-15(21)9-19(18)26(13)12-16(22)6-7-23;;/h4-6,8-11H,7,12,23H2,1-3H3;2*1H/b16-6-;;
InChIKeyNRIFHYFWVXSPKT-OVUHHCSUSA-N
MW509.86 g/mol
LogP4.57
Rot. Bonds6

About 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride

5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride (PubChem CID 130302613) has the molecular formula C20H24Cl3FN4O2S and a molecular weight of 509.86 g/mol. Its IUPAC name is 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
PubChem CID130302613
Molecular FormulaC20H24Cl3FN4O2S
Molecular Weight509.86 g/mol
Exact Mass508.07
IUPAC Name5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
SMILESCc1c(-c2cncc(S(=O)(=O)N(C)C)c2)c2ccc(Cl)cc2n1C/C(F)=C/CN.Cl.Cl
InChIInChI=1S/C20H22ClFN4O2S.2ClH/c1-13-20(14-8-17(11-24-10-14)29(27,28)25(2)3)18-5-4-15(21)9-19(18)26(13)12-16(22)6-7-23;;/h4-6,8-11H,7,12,23H2,1-3H3;2*1H/b16-6-;;
InChIKeyNRIFHYFWVXSPKT-OVUHHCSUSA-N
XLogP4.57
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride with MolForge

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Related Compounds

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3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
CID 11372738
3-Chloro-1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
The IUPAC name of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride (CID 130302613) is 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride.
What is the SMILES notation for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
The canonical SMILES for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride is Cc1c(-c2cncc(S(=O)(=O)N(C)C)c2)c2ccc(Cl)cc2n1C/C(F)=C/CN.Cl.Cl.
What is the InChIKey of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
The InChIKey is NRIFHYFWVXSPKT-OVUHHCSUSA-N. The full InChI is InChI=1S/C20H22ClFN4O2S.2ClH/c1-13-20(14-8-17(11-24-10-14)29(27,28)25(2)3)18-5-4-15(21)9-19(18)26(13)12-16(22)6-7-23;;/h4-6,8-11H,7,12,23H2,1-3H3;2*1H/b16-6-;;.
What are the key properties of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride has a molecular weight of 509.86 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride is sourced from PubChem (CID 130302613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).