1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride

C19H20ClF2N3O2S — CID 137459921

IUPAC1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride
SMILESCc1c(-c2ccc(F)cc2)c2cc(S(N)(=O)=O)ccc2n1C/C(F)=C/CN.Cl
InChIInChI=1S/C19H19F2N3O2S.ClH/c1-12-19(13-2-4-14(20)5-3-13)17-10-16(27(23,25)26)6-7-18(17)24(12)11-15(21)8-9-22;/h2-8,10H,9,11,22H2,1H3,(H2,23,25,26);1H/b15-8-;
InChIKeyOODIGDPUARWZSJ-ZTXYIFKNSA-N
MW427.90 g/mol
LogP3.64
Rot. Bonds5

About 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride

1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride (PubChem CID 137459921) has the molecular formula C19H20ClF2N3O2S and a molecular weight of 427.90 g/mol. Its IUPAC name is 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride
PubChem CID137459921
Molecular FormulaC19H20ClF2N3O2S
Molecular Weight427.90 g/mol
Exact Mass427.09
IUPAC Name1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride
SMILESCc1c(-c2ccc(F)cc2)c2cc(S(N)(=O)=O)ccc2n1C/C(F)=C/CN.Cl
InChIInChI=1S/C19H19F2N3O2S.ClH/c1-12-19(13-2-4-14(20)5-3-13)17-10-16(27(23,25)26)6-7-18(17)24(12)11-15(21)8-9-22;/h2-8,10H,9,11,22H2,1H3,(H2,23,25,26);1H/b15-8-;
InChIKeyOODIGDPUARWZSJ-ZTXYIFKNSA-N
XLogP3.64
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine
CID 155166141
(Z)-4-[3-(2,6-dimethyl-4-pyridinyl)-2-methyl-5-methylsulfonylindol-1-yl]-3-fluorobut-2-en-1-amine
CID 130302706
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-5-sulfonamide;hydrochloride
CID 155166138
5-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-2-methylindol-3-yl]pyridine-3-sulfonamide
CID 130302607
(Z)-3-fluoro-4-[3-(2-methoxy-4-pyridinyl)-2-methyl-5-methylsulfonylindol-1-yl]but-2-en-1-amine;dihydrochloride
CID 137459830
N-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(2,6-dimethyl-4-pyridinyl)-2-methylindol-5-yl]methanesulfonamide
CID 130302712
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-cyano-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 130302581
(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine
CID 130340808
3-[1-(4-amino-2-fluorobut-2-enyl)-2-methyl-5-(2H-tetrazol-5-yl)indol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 137459856
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(2,6-dimethyl-4-pyridinyl)-N,N,2-trimethylindole-5-carboxamide
CID 130302718
1-(4-amino-2-fluorobut-2-enyl)-3-[3-(methanesulfonamido)phenyl]-2-methylindole-5-carboxylic acid
CID 175120136
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-methyl-5-(1,2,4-oxadiazol-3-yl)indol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 130302689

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride?
The IUPAC name of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride (CID 137459921) is 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride is Cc1c(-c2ccc(F)cc2)c2cc(S(N)(=O)=O)ccc2n1C/C(F)=C/CN.Cl.
What is the InChIKey of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride?
The InChIKey is OODIGDPUARWZSJ-ZTXYIFKNSA-N. The full InChI is InChI=1S/C19H19F2N3O2S.ClH/c1-12-19(13-2-4-14(20)5-3-13)17-10-16(27(23,25)26)6-7-18(17)24(12)11-15(21)8-9-22;/h2-8,10H,9,11,22H2,1H3,(H2,23,25,26);1H/b15-8-;.
What are the key properties of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride?
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride has a molecular weight of 427.90 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-(4-fluorophenyl)-2-methylindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 137459921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).