2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C11H16ClN3O4S — CID 120723641

IUPAC2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCNC1
InChIInChI=1S/C11H15N3O4S.ClH/c15-14(16)10-5-1-2-6-11(10)19(17,18)13-9-4-3-7-12-8-9;/h1-2,5-6,9,12-13H,3-4,7-8H2;1H/t9-;/m1./s1
InChIKeyAUQKHKUEWAPPNV-SBSPUUFOSA-N
MW321.79 g/mol
LogP1.05
Rot. Bonds4

About 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120723641) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120723641
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCNC1
InChIInChI=1S/C11H15N3O4S.ClH/c15-14(16)10-5-1-2-6-11(10)19(17,18)13-9-4-3-7-12-8-9;/h1-2,5-6,9,12-13H,3-4,7-8H2;1H/t9-;/m1./s1
InChIKeyAUQKHKUEWAPPNV-SBSPUUFOSA-N
XLogP1.05
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-methyl-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716604
5-bromo-2-nitro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964575
4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide
CID 63321601
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
2-nitro-N-(thian-4-yl)benzenesulfonamide
CID 70967975
2-nitro-N-(1-oxothian-4-yl)benzenesulfonamide
CID 139050589
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707
4-methoxy-3-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723780
N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120707123
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120723641) is 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cl.O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCNC1.
What is the InChIKey of 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is AUQKHKUEWAPPNV-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H15N3O4S.ClH/c15-14(16)10-5-1-2-6-11(10)19(17,18)13-9-4-3-7-12-8-9;/h1-2,5-6,9,12-13H,3-4,7-8H2;1H/t9-;/m1./s1.
What are the key properties of 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 321.79 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).