N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide

C18H15N3O4S — CID 3534369

IUPACN-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H15N3O4S/c22-21(23)16-10-4-5-11-17(16)26(24,25)20(18-12-6-7-13-19-18)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyANVPTSABAIERPO-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.39
Rot. Bonds6

About N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide

N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 3534369) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID3534369
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H15N3O4S/c22-21(23)16-10-4-5-11-17(16)26(24,25)20(18-12-6-7-13-19-18)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyANVPTSABAIERPO-UHFFFAOYSA-N
XLogP3.39
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
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-benzyl-4-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 1087314
N-benzyl-N-methyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173687
N-benzyl-N-(2-nitrophenyl)sulfonylacetamide
CID 101350164
N-benzyl-2-nitro-N-(2-oxoethyl)benzenesulfonamide
CID 59106656
[4-[[(2-nitrophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl methanesulfonate
CID 86597124
N-benzyl-2-nitro-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 141311472
2-nitro-N-phenyl-N-propylbenzenesulfonamide
CID 167167551
(2S)-2-[benzyl-(2-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 10500709
N-benzyl-2-nitro-N-[(2R)-1-phenylbut-3-en-2-yl]benzenesulfonamide
CID 101036600
N-[(2R)-3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 92852254
N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide
CID 90518235
N-(3-bromopropyl)-2-nitro-N-(3-phenylpropyl)benzenesulfonamide
CID 23110493

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide (CID 3534369) is N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is ANVPTSABAIERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-21(23)16-10-4-5-11-17(16)26(24,25)20(18-12-6-7-13-19-18)14-15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide?
N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 369.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 3534369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).