3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide

C14H17N5O4S — CID 133277912

IUPAC3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(N2CCC(n3cccn3)CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H17N5O4S/c15-24(22,23)14-9-12(8-13(10-14)19(20)21)17-6-2-11(3-7-17)18-5-1-4-16-18/h1,4-5,8-11H,2-3,6-7H2,(H2,15,22,23)
InChIKeyIVRVOAYPWQYJSU-UHFFFAOYSA-N
MW351.39 g/mol
LogP1.28
Rot. Bonds4

About 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide

3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide (PubChem CID 133277912) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide
PubChem CID133277912
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(N2CCC(n3cccn3)CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H17N5O4S/c15-24(22,23)14-9-12(8-13(10-14)19(20)21)17-6-2-11(3-7-17)18-5-1-4-16-18/h1,4-5,8-11H,2-3,6-7H2,(H2,15,22,23)
InChIKeyIVRVOAYPWQYJSU-UHFFFAOYSA-N
XLogP1.28
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-[4-(2-methylpropyl)piperidin-1-yl]-5-nitrobenzenesulfonamide
CID 133363027
3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-nitrobenzenesulfonamide
CID 97076301
3-(2-methyl-6-phenylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 133274565
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 100664637
3-(4-methylpiperazin-1-yl)-5-nitrobenzenesulfonic acid;hydrochloride
CID 174636628
2-methyl-8-nitro-4-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 133436964
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
3-(3-methylpyrrolidine-1-carbonyl)-5-nitrobenzenesulfonamide
CID 65388778
1-[4-nitro-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylpiperidine
CID 133275718
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
3-amino-5-(4-cyclopropylpiperazin-1-yl)benzenesulfonamide
CID 61440515

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide (CID 133277912) is 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide is NS(=O)(=O)c1cc(N2CCC(n3cccn3)CC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is IVRVOAYPWQYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c15-24(22,23)14-9-12(8-13(10-14)19(20)21)17-6-2-11(3-7-17)18-5-1-4-16-18/h1,4-5,8-11H,2-3,6-7H2,(H2,15,22,23).
What are the key properties of 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide?
3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-(4-pyrazol-1-ylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 133277912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).