N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine

C18H19N5O4S — CID 40709731

IUPACN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H19N5O4S/c24-23(25)18-11-15(28(26,27)22-8-2-1-3-9-22)5-7-17(18)20-14-4-6-16-13(10-14)12-19-21-16/h4-7,10-12,20H,1-3,8-9H2,(H,19,21)
InChIKeyFQEXHNNPUIKSNP-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.39
Rot. Bonds5

About N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine

N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine (PubChem CID 40709731) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
PubChem CID40709731
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H19N5O4S/c24-23(25)18-11-15(28(26,27)22-8-2-1-3-9-22)5-7-17(18)20-14-4-6-16-13(10-14)12-19-21-16/h4-7,10-12,20H,1-3,8-9H2,(H,19,21)
InChIKeyFQEXHNNPUIKSNP-UHFFFAOYSA-N
XLogP3.39
TPSA121.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 7995764
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
N-(4-morpholin-4-ylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4789989
2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide
CID 46405187
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
CID 9311427
3,4,5-trimethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)aniline
CID 18777948
4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyrazin-2-yloxyphenyl)aniline
CID 31980675
1-[2-chloro-4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)phenyl]pyrrolidin-2-one
CID 154759175
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
3-methyl-N-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)phenyl]butanamide
CID 24661955
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
CID 9282828

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine?
The IUPAC name of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine (CID 40709731) is N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine?
The canonical SMILES for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine?
The InChIKey is FQEXHNNPUIKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c24-23(25)18-11-15(28(26,27)22-8-2-1-3-9-22)5-7-17(18)20-14-4-6-16-13(10-14)12-19-21-16/h4-7,10-12,20H,1-3,8-9H2,(H,19,21).
What are the key properties of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine?
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine has a molecular weight of 401.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine is sourced from PubChem (CID 40709731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).