4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C13H18ClN3O4S — CID 4227983

IUPAC4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C13H18ClN3O4S/c14-11-4-5-13(12(10-11)17(18)19)22(20,21)15-6-9-16-7-2-1-3-8-16/h4-5,10,15H,1-3,6-9H2
InChIKeyRJHDYDGBPVGJHA-UHFFFAOYSA-N
MW347.82 g/mol
LogP2.01
Rot. Bonds6

About 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 4227983) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID4227983
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C13H18ClN3O4S/c14-11-4-5-13(12(10-11)17(18)19)22(20,21)15-6-9-16-7-2-1-3-8-16/h4-5,10,15H,1-3,6-9H2
InChIKeyRJHDYDGBPVGJHA-UHFFFAOYSA-N
XLogP2.01
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 52.01
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

4-chloro-2-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide
CID 94008380
4-chloro-2-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994560
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
4-chloro-2-nitro-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62665331
N-(3-aminopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 28542730
1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
CID 47157093
4-hydroxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60656162
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020133
5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 80731215
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 4227983) is 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCN1CCCCC1.
What is the InChIKey of 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is RJHDYDGBPVGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c14-11-4-5-13(12(10-11)17(18)19)22(20,21)15-6-9-16-7-2-1-3-8-16/h4-5,10,15H,1-3,6-9H2.
What are the key properties of 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 347.82 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4227983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).