3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride

C20H19ClN4O3S — CID 53319444

IUPAC3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-17-16(12-14)20(24-23-17)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
InChIKeyGIKJUHPCTLLYFZ-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.26
Rot. Bonds5

About 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride

3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride (PubChem CID 53319444) 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-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride
PubChem CID53319444
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-17-16(12-14)20(24-23-17)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
InChIKeyGIKJUHPCTLLYFZ-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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Related Compounds

Way-255315
CID 10430623
(3R)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
CID 25117676
3-amino-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-5-yl]propanamide
CID 25263298
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 50993932
3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53318145
3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53319477
3-naphthalen-1-ylsulfonyl-5-(piperazin-1-ylmethyl)-2H-indazole;hydrochloride
CID 53323401
N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
CID 53323442
5-(4-Methylpiperazin-1-yl)-3-(1-naphthalenesulfonyl)-1H-indazole
CID 9978683
(3R)-1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
CID 25067564
(3S)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
CID 25117677
1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]piperidin-4-amine
CID 25122651

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride (CID 53319444) is 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride?
The InChIKey is GIKJUHPCTLLYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-17-16(12-14)20(24-23-17)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-5-yl)propanamide;hydrochloride?
3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-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-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 53319444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).