5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide

C18H18ClFN4O2S — CID 130302607

IUPAC5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide
SMILESCc1c(-c2cncc(S(N)(=O)=O)c2)c2cc(Cl)ccc2n1C/C(F)=C/CN
InChIInChI=1S/C18H18ClFN4O2S/c1-11-18(12-6-15(9-23-8-12)27(22,25)26)16-7-13(19)2-3-17(16)24(11)10-14(20)4-5-21/h2-4,6-9H,5,10,21H2,1H3,(H2,22,25,26)/b14-4-
InChIKeyALOYLRIYXMBLRE-CPSFFCFKSA-N
MW408.89 g/mol
LogP3.12
Rot. Bonds5

About 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide

5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide (PubChem CID 130302607) has the molecular formula C18H18ClFN4O2S and a molecular weight of 408.89 g/mol. Its IUPAC name is 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide
PubChem CID130302607
Molecular FormulaC18H18ClFN4O2S
Molecular Weight408.89 g/mol
Exact Mass408.08
IUPAC Name5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide
SMILESCc1c(-c2cncc(S(N)(=O)=O)c2)c2cc(Cl)ccc2n1C/C(F)=C/CN
InChIInChI=1S/C18H18ClFN4O2S/c1-11-18(12-6-15(9-23-8-12)27(22,25)26)16-7-13(19)2-3-17(16)24(11)10-14(20)4-5-21/h2-4,6-9H,5,10,21H2,1H3,(H2,22,25,26)/b14-4-
InChIKeyALOYLRIYXMBLRE-CPSFFCFKSA-N
XLogP3.12
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-6-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
CID 130302613
(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine
CID 130340808
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride
CID 137459921
(Z)-4-[3-(2,6-dimethyl-4-pyridinyl)-2-methyl-5-methylsulfonylindol-1-yl]-3-fluorobut-2-en-1-amine
CID 130302706
6-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]-N,N-dimethylpyridine-2-sulfonamide
CID 130302730
(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine
CID 130341095
3-[1-(4-amino-2-fluorobut-2-enyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 137459873
[4-[5-carboxy-3-[5-(dimethylsulfamoyl)-3-pyridinyl]-2-methylindol-1-yl]-3-fluorobut-2-enyl]azanium
CID 163832713
N-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(2,6-dimethyl-4-pyridinyl)-2-methylindol-5-yl]methanesulfonamide
CID 130302712
3-[1-(4-amino-2-fluorobut-2-enyl)-2-methyl-5-(2H-tetrazol-5-yl)indol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 137459856
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-cyano-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 130302581
[(Z)-4-[3-[5-(dimethylsulfamoyl)-3-pyridinyl]-2-methyl-5-(trifluoromethoxy)indol-1-yl]-3-fluorobut-2-enyl]azanium
CID 145350150

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide (CID 130302607) is 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide is Cc1c(-c2cncc(S(N)(=O)=O)c2)c2cc(Cl)ccc2n1C/C(F)=C/CN.
What is the InChIKey of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide?
The InChIKey is ALOYLRIYXMBLRE-CPSFFCFKSA-N. The full InChI is InChI=1S/C18H18ClFN4O2S/c1-11-18(12-6-15(9-23-8-12)27(22,25)26)16-7-13(19)2-3-17(16)24(11)10-14(20)4-5-21/h2-4,6-9H,5,10,21H2,1H3,(H2,22,25,26)/b14-4-.
What are the key properties of 5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide?
5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide has a molecular weight of 408.89 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 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]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 130302607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).