N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C13H20ClN3O4S — CID 119966044

IUPACN,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C2CCNCC2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-10-9-12(3-4-13(10)16(17)18)21(19,20)15(2)11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H
InChIKeyUWJXYLJNDNWHPM-UHFFFAOYSA-N
MW349.84 g/mol
LogP1.70
Rot. Bonds4

About N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119966044) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119966044
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC NameN,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)C2CCNCC2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-10-9-12(3-4-13(10)16(17)18)21(19,20)15(2)11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H
InChIKeyUWJXYLJNDNWHPM-UHFFFAOYSA-N
XLogP1.70
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 51.70
H-Bond Donors ≤ 51
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

N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065
N,2-dimethyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965866
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738
4-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965865
methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119966118
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
N,2,3-trimethyl-6-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119979084
3-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967226
N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854203
N-cyclopropyl-4-fluoro-N,3-dimethyl-5-nitrobenzenesulfonamide
CID 113306304
N-cyclopentyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 43213246
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119966044) is N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(C)C2CCNCC2)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is UWJXYLJNDNWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S.ClH/c1-10-9-12(3-4-13(10)16(17)18)21(19,20)15(2)11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H.
What are the key properties of N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119966044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).