4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol

C17H25N3O5S — CID 9282828

IUPAC4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CCC(O)CC1
InChIInChI=1S/C17H25N3O5S/c21-14-6-4-13(5-7-14)18-16-9-8-15(12-17(16)20(22)23)26(24,25)19-10-2-1-3-11-19/h8-9,12-14,18,21H,1-7,10-11H2
InChIKeyDHYOQJLFLFLBFF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.48
Rot. Bonds5

About 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol

4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol (PubChem CID 9282828) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
PubChem CID9282828
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CCC(O)CC1
InChIInChI=1S/C17H25N3O5S/c21-14-6-4-13(5-7-14)18-16-9-8-15(12-17(16)20(22)23)26(24,25)19-10-2-1-3-11-19/h8-9,12-14,18,21H,1-7,10-11H2
InChIKeyDHYOQJLFLFLBFF-UHFFFAOYSA-N
XLogP2.48
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.48
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

(3R)-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1,1-dioxothiolan-3-amine
CID 41213852
4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitroaniline
CID 16959579
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
CID 9311427
2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-1-cyclopentylethanol
CID 133306935
1-[(2-methoxyphenyl)methyl]-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-4-amine
CID 55855114
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
1-(1-methylpyrazol-4-yl)-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-3-amine
CID 133330013
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
CID 24607590
N-[(1S)-1-cyclopropylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9026150
N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281650

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol (CID 9282828) is 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CCC(O)CC1.
What is the InChIKey of 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol?
The InChIKey is DHYOQJLFLFLBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c21-14-6-4-13(5-7-14)18-16-9-8-15(12-17(16)20(22)23)26(24,25)19-10-2-1-3-11-19/h8-9,12-14,18,21H,1-7,10-11H2.
What are the key properties of 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol?
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol has a molecular weight of 383.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol is sourced from PubChem (CID 9282828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).