2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine

C22H20FN5O2S — CID 73082585

IUPAC2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine
SMILESCCC(=NN=C(N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(F)cc12
InChIInChI=1S/C22H20FN5O2S/c1-2-20(26-27-22(24)25)19-13-28(21-10-8-16(23)12-18(19)21)31(29,30)17-9-7-14-5-3-4-6-15(14)11-17/h3-13H,2H2,1H3,(H4,24,25,27)
InChIKeyVDUADQSPBISHFB-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.56
Rot. Bonds5

About 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine

2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine (PubChem CID 73082585) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine
PubChem CID73082585
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine
SMILESCCC(=NN=C(N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(F)cc12
InChIInChI=1S/C22H20FN5O2S/c1-2-20(26-27-22(24)25)19-13-28(21-10-8-16(23)12-18(19)21)31(29,30)17-9-7-14-5-3-4-6-15(14)11-17/h3-13H,2H2,1H3,(H4,24,25,27)
InChIKeyVDUADQSPBISHFB-UHFFFAOYSA-N
XLogP3.56
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
CID 87969673
2-[1-[1-(4-aminophenyl)sulfonyl-5-chloroindol-3-yl]propylideneamino]guanidine
CID 85147541
2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine
CID 87970516
2-[(E)-1-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pentylideneamino]guanidine
CID 87970714
1-naphthalen-2-ylsulfonylindole-3-carboxamide
CID 16654882
2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine
CID 87970805
2-[[1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbutylidene]amino]guanidine
CID 87970881
2-[1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 87970617
2-[(Z)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10070727
2-[(Z)-1-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10001896
1-(5-fluoro-1-methylsulfonylindol-3-yl)propan-1-one
CID 134345481
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine?
The IUPAC name of 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine (CID 73082585) is 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine.
What is the SMILES notation for 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine?
The canonical SMILES for 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine is CCC(=NN=C(N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(F)cc12.
What is the InChIKey of 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine?
The InChIKey is VDUADQSPBISHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-2-20(26-27-22(24)25)19-13-28(21-10-8-16(23)12-18(19)21)31(29,30)17-9-7-14-5-3-4-6-15(14)11-17/h3-13H,2H2,1H3,(H4,24,25,27).
What are the key properties of 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine?
2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine has a molecular weight of 437.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine is sourced from PubChem (CID 73082585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).