5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide

C19H20ClFN4O2S — CID 130302673

IUPAC5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cncc(-c2c(Cl)n(C/C(F)=C/CN)c3ccccc23)c1
InChIInChI=1S/C19H20ClFN4O2S/c1-24(2)28(26,27)15-9-13(10-23-11-15)18-16-5-3-4-6-17(16)25(19(18)20)12-14(21)7-8-22/h3-7,9-11H,8,12,22H2,1-2H3/b14-7-
InChIKeyYZFJULKNOVCHHD-AUWJEWJLSA-N
MW422.91 g/mol
LogP3.42
Rot. Bonds6

About 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide

5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 130302673) has the molecular formula C19H20ClFN4O2S and a molecular weight of 422.91 g/mol. Its IUPAC name is 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID130302673
Molecular FormulaC19H20ClFN4O2S
Molecular Weight422.91 g/mol
Exact Mass422.10
IUPAC Name5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cncc(-c2c(Cl)n(C/C(F)=C/CN)c3ccccc23)c1
InChIInChI=1S/C19H20ClFN4O2S/c1-24(2)28(26,27)15-9-13(10-23-11-15)18-16-5-3-4-6-17(16)25(19(18)20)12-14(21)7-8-22/h3-7,9-11H,8,12,22H2,1-2H3/b14-7-
InChIKeyYZFJULKNOVCHHD-AUWJEWJLSA-N
XLogP3.42
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide (CID 130302673) is 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cncc(-c2c(Cl)n(C/C(F)=C/CN)c3ccccc23)c1.
What is the InChIKey of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is YZFJULKNOVCHHD-AUWJEWJLSA-N. The full InChI is InChI=1S/C19H20ClFN4O2S/c1-24(2)28(26,27)15-9-13(10-23-11-15)18-16-5-3-4-6-17(16)25(19(18)20)12-14(21)7-8-22/h3-7,9-11H,8,12,22H2,1-2H3/b14-7-.
What are the key properties of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide?
5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 422.91 g/mol, XLogP of 3.42, 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]-2-chloroindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 130302673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).