3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride

C20H19ClN4O3S — CID 53318141

IUPAC3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1
InChIInChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-16-17(12-14)23-24-20(16)28(26,27)18-7-3-5-13-4-1-2-6-15(13)18;/h1-9,12H,10-11,21H2,(H,22,25)(H,23,24);1H
InChIKeyUHVRBXNHNDKZAO-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.26
Rot. Bonds5

About 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride

3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride (PubChem CID 53318141) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride
PubChem CID53318141
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1
InChIInChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-16-17(12-14)23-24-20(16)28(26,27)18-7-3-5-13-4-1-2-6-15(13)18;/h1-9,12H,10-11,21H2,(H,22,25)(H,23,24);1H
InChIKeyUHVRBXNHNDKZAO-UHFFFAOYSA-N
XLogP3.26
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride (CID 53318141) is 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1.
What is the InChIKey of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride?
The InChIKey is UHVRBXNHNDKZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-16-17(12-14)23-24-20(16)28(26,27)18-7-3-5-13-4-1-2-6-15(13)18;/h1-9,12H,10-11,21H2,(H,22,25)(H,23,24);1H.
What are the key properties of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride?
3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride has a molecular weight of 430.92 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 53318141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).