5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

C14H21Cl2N3O4S — CID 119994172

IUPAC5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H20ClN3O4S.ClH/c1-2-9-17(12-5-7-16-8-6-12)23(21,22)14-10-11(15)3-4-13(14)18(19)20;/h3-4,10,12,16H,2,5-9H2,1H3;1H
InChIKeyGVXWVPJUIVDEJV-UHFFFAOYSA-N
MW398.31 g/mol
LogP2.82
Rot. Bonds6

About 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 119994172) has the molecular formula C14H21Cl2N3O4S and a molecular weight of 398.31 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID119994172
Molecular FormulaC14H21Cl2N3O4S
Molecular Weight398.31 g/mol
Exact Mass397.06
IUPAC Name5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H20ClN3O4S.ClH/c1-2-9-17(12-5-7-16-8-6-12)23(21,22)14-10-11(15)3-4-13(14)18(19)20;/h3-4,10,12,16H,2,5-9H2,1H3;1H
InChIKeyGVXWVPJUIVDEJV-UHFFFAOYSA-N
XLogP2.82
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 52.82
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

7-nitro-N-piperidin-4-yl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 119993806
2-methyl-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993938
2,3-dimethyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994131
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
4-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965865
N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 60990037
2-methyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994087
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-4-amine
CID 79579986
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 119994172) is 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is GVXWVPJUIVDEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S.ClH/c1-2-9-17(12-5-7-16-8-6-12)23(21,22)14-10-11(15)3-4-13(14)18(19)20;/h3-4,10,12,16H,2,5-9H2,1H3;1H.
What are the key properties of 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 398.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119994172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).