3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide

C20H18N4O3S — CID 25263297

IUPAC3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide
SMILESNCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H18N4O3S/c21-12-11-20(25)23-17-8-4-9-18-16(17)13-22-24(18)28(26,27)19-10-3-6-14-5-1-2-7-15(14)19/h1-10,13H,11-12,21H2,(H,23,25)
InChIKeyFGFHKVYAKOQWLG-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide

3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide (PubChem CID 25263297) 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-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide
PubChem CID25263297
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide
SMILESNCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H18N4O3S/c21-12-11-20(25)23-17-8-4-9-18-16(17)13-22-24(18)28(26,27)19-10-3-6-14-5-1-2-7-15(14)19/h1-10,13H,11-12,21H2,(H,23,25)
InChIKeyFGFHKVYAKOQWLG-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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Related Compounds

3-amino-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 23624307
1-(naphthalene-1-sulfonyl)-N-(piperidin-4-ylmethyl)-1H-indazol-6-amine
CID 24771185
1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-4-carboxamide
CID 24771120
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]-3-(piperidin-1-yl)propanamide
CID 24771124
3-amino-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-5-yl]propanamide
CID 25263298
3-(methylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263299
3-(dimethylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263300
3-(diethylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263301
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-3-carboxamide
CID 25263302
N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)propanamide;hydrochloride
CID 53318141

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide?
The IUPAC name of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide (CID 25263297) is 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide.
What is the SMILES notation for 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide?
The canonical SMILES for 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide is NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide?
The InChIKey is FGFHKVYAKOQWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c21-12-11-20(25)23-17-8-4-9-18-16(17)13-22-24(18)28(26,27)19-10-3-6-14-5-1-2-7-15(14)19/h1-10,13H,11-12,21H2,(H,23,25).
What are the key properties of 3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-yl)propanamide?
3-amino-N-(1-naphthalen-1-ylsulfonylindazol-4-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-4-yl)propanamide is sourced from PubChem (CID 25263297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).