3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide

C20H18N4O3S — CID 23624307

IUPAC3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C20H18N4O3S/c21-11-10-20(25)23-16-9-8-15-13-22-24(18(15)12-16)28(26,27)19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11,21H2,(H,23,25)
InChIKeyYSQAQADMLFUOTE-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide

3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (PubChem CID 23624307) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
PubChem CID23624307
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C20H18N4O3S/c21-11-10-20(25)23-16-9-8-15-13-22-24(18(15)12-16)28(26,27)19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11,21H2,(H,23,25)
InChIKeyYSQAQADMLFUOTE-UHFFFAOYSA-N
XLogP2.71
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The IUPAC name of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (CID 23624307) is 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.
What is the SMILES notation for 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The canonical SMILES for 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is NCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The InChIKey is YSQAQADMLFUOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c21-11-10-20(25)23-16-9-8-15-13-22-24(18(15)12-16)28(26,27)19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11,21H2,(H,23,25).
What are the key properties of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide has a molecular weight of 394.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is sourced from PubChem (CID 23624307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).