[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium

C22H25FN7O2S+ — CID 145350138

IUPAC[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium
SMILESCc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(-c3nn[nH]n3)ccc2n1C/C(F)=C/C[NH3+]
InChIInChI=1S/C22H24FN7O2S/c1-14-21(15-5-4-6-18(11-15)33(31,32)29(2)3)19-12-16(22-25-27-28-26-22)7-8-20(19)30(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,25,26,27,28)/p+1/b17-9-
InChIKeyHFXSXVBYINJBIZ-MFOYZWKCSA-O
MW470.55 g/mol
LogP2.14
Rot. Bonds7

About [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium

[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium (PubChem CID 145350138) has the molecular formula C22H25FN7O2S+ and a molecular weight of 470.55 g/mol. Its IUPAC name is [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium.

Molecular Properties

Compound Name[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium
PubChem CID145350138
Molecular FormulaC22H25FN7O2S+
Molecular Weight470.55 g/mol
Exact Mass470.18
IUPAC Name[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium
SMILESCc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(-c3nn[nH]n3)ccc2n1C/C(F)=C/C[NH3+]
InChIInChI=1S/C22H24FN7O2S/c1-14-21(15-5-4-6-18(11-15)33(31,32)29(2)3)19-12-16(22-25-27-28-26-22)7-8-20(19)30(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,25,26,27,28)/p+1/b17-9-
InChIKeyHFXSXVBYINJBIZ-MFOYZWKCSA-O
XLogP2.14
TPSA124.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(4-amino-2-fluorobut-2-enyl)-2-methyl-5-(2H-tetrazol-5-yl)indol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 137459856
[4-[5-carboxy-3-[5-(dimethylsulfamoyl)-3-pyridinyl]-2-methylindol-1-yl]-3-fluorobut-2-enyl]azanium
CID 163832713
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
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-5-sulfonamide;hydrochloride
CID 155166138
[(Z)-4-[3-[5-(dimethylsulfamoyl)-3-pyridinyl]-2-methyl-5-(trifluoromethoxy)indol-1-yl]-3-fluorobut-2-enyl]azanium
CID 145350150
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-cyano-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 130302581
methyl 1-[(Z)-4-(chloroamino)-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindole-5-carboxylate
CID 130341102
3-[1-(4-amino-2-fluorobut-2-enyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 137459873
3-[1-[(Z)-4-(chloroamino)-2-fluorobut-2-enyl]-5-methoxy-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide
CID 130340942
ethyl 1-[(Z)-4-(chloroamino)-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindole-5-carboxylate
CID 130340745
tert-butyl N-[(Z)-4-[5-(difluoromethyl)-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindol-1-yl]-3-fluorobut-2-enyl]carbamate
CID 130340951
tert-butyl N-[(Z)-4-[5-amino-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindol-1-yl]-3-fluorobut-2-enyl]carbamate;tert-butyl N-[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-5-(methanesulfonamido)-2-methylindol-1-yl]-3-fluorobut-2-enyl]carbamate
CID 161387903

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium?
The IUPAC name of [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium (CID 145350138) is [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium.
What is the SMILES notation for [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium?
The canonical SMILES for [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium is Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(-c3nn[nH]n3)ccc2n1C/C(F)=C/C[NH3+].
What is the InChIKey of [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium?
The InChIKey is HFXSXVBYINJBIZ-MFOYZWKCSA-O. The full InChI is InChI=1S/C22H24FN7O2S/c1-14-21(15-5-4-6-18(11-15)33(31,32)29(2)3)19-12-16(22-25-27-28-26-22)7-8-20(19)30(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,25,26,27,28)/p+1/b17-9-.
What are the key properties of [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium?
[(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium has a molecular weight of 470.55 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[3-[3-(dimethylsulfamoyl)phenyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-1-yl]-3-fluorobut-2-enyl]azanium is sourced from PubChem (CID 145350138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).