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

C20H22ClFN4O2S — CID 130302730

IUPAC6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide
SMILESCc1c(-c2cccc(S(=O)(=O)N(C)C)n2)c2cc(Cl)ccc2n1C/C(F)=C/CN
InChIInChI=1S/C20H22ClFN4O2S/c1-13-20(17-5-4-6-19(24-17)29(27,28)25(2)3)16-11-14(21)7-8-18(16)26(13)12-15(22)9-10-23/h4-9,11H,10,12,23H2,1-3H3/b15-9-
InChIKeyHRGFULBVHRNBTG-DHDCSXOGSA-N
MW436.94 g/mol
LogP3.73
Rot. Bonds6

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

6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide (PubChem CID 130302730) has the molecular formula C20H22ClFN4O2S and a molecular weight of 436.94 g/mol. Its IUPAC name is 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide
PubChem CID130302730
Molecular FormulaC20H22ClFN4O2S
Molecular Weight436.94 g/mol
Exact Mass436.11
IUPAC Name6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide
SMILESCc1c(-c2cccc(S(=O)(=O)N(C)C)n2)c2cc(Cl)ccc2n1C/C(F)=C/CN
InChIInChI=1S/C20H22ClFN4O2S/c1-13-20(17-5-4-6-19(24-17)29(27,28)25(2)3)16-11-14(21)7-8-18(16)26(13)12-15(22)9-10-23/h4-9,11H,10,12,23H2,1-3H3/b15-9-
InChIKeyHRGFULBVHRNBTG-DHDCSXOGSA-N
XLogP3.73
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide?
The IUPAC name of 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide (CID 130302730) is 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide.
What is the SMILES notation for 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide?
The canonical SMILES for 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide is Cc1c(-c2cccc(S(=O)(=O)N(C)C)n2)c2cc(Cl)ccc2n1C/C(F)=C/CN.
What is the InChIKey of 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide?
The InChIKey is HRGFULBVHRNBTG-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H22ClFN4O2S/c1-13-20(17-5-4-6-19(24-17)29(27,28)25(2)3)16-11-14(21)7-8-18(16)26(13)12-15(22)9-10-23/h4-9,11H,10,12,23H2,1-3H3/b15-9-.
What are the key properties of 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide?
6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide has a molecular weight of 436.94 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide is sourced from PubChem (CID 130302730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).