N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide

C18H16N4O4S — CID 126707742

IUPACN-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide
SMILESO=Nc1ccc2c(cnn2-c2cccc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H16N4O4S/c23-18(20-15-6-7-27(25,26)11-15)12-2-1-3-16(9-12)22-17-5-4-14(21-24)8-13(17)10-19-22/h1-5,8-10,15H,6-7,11H2,(H,20,23)
InChIKeyIEYBCDDQLWLBEC-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.34
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide

N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide (PubChem CID 126707742) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide
PubChem CID126707742
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide
SMILESO=Nc1ccc2c(cnn2-c2cccc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H16N4O4S/c23-18(20-15-6-7-27(25,26)11-15)12-2-1-3-16(9-12)22-17-5-4-14(21-24)8-13(17)10-19-22/h1-5,8-10,15H,6-7,11H2,(H,20,23)
InChIKeyIEYBCDDQLWLBEC-UHFFFAOYSA-N
XLogP2.34
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 96558182
3-[5-[(1R,2S)-1-(4H-1,3-benzodioxin-7-yl)-2-(2,2-difluoropropanoylamino)propoxy]indazol-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 68580029
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
N-(1,1-dioxothiolan-3-yl)-3-[4-[2-[(2-methoxy-4,6-dimethylphenyl)sulfanylamino]propylamino]-6-methylindazol-1-yl]benzamide
CID 143816598
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide
CID 70952747
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(1,1-dioxothiolan-3-yl)-3-[4-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzamide
CID 59152118

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide (CID 126707742) is N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide is O=Nc1ccc2c(cnn2-c2cccc(C(=O)NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide?
The InChIKey is IEYBCDDQLWLBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-18(20-15-6-7-27(25,26)11-15)12-2-1-3-16(9-12)22-17-5-4-14(21-24)8-13(17)10-19-22/h1-5,8-10,15H,6-7,11H2,(H,20,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide?
N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide has a molecular weight of 384.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide is sourced from PubChem (CID 126707742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).