2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide

C13H13N3O4S — CID 41083773

IUPAC2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C13H13N3O4S/c1-10(11-6-4-5-9-14-11)15-21(19,20)13-8-3-2-7-12(13)16(17)18/h2-10,15H,1H3/t10-/m1/s1
InChIKeyAVUAQIMEGKGKCB-SNVBAGLBSA-N
MW307.33 g/mol
LogP2.03
Rot. Bonds5

About 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide

2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide (PubChem CID 41083773) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
PubChem CID41083773
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C13H13N3O4S/c1-10(11-6-4-5-9-14-11)15-21(19,20)13-8-3-2-7-12(13)16(17)18/h2-10,15H,1H3/t10-/m1/s1
InChIKeyAVUAQIMEGKGKCB-SNVBAGLBSA-N
XLogP2.03
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.03
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

2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446
N-(1-chloropropan-2-yl)-2-nitrobenzenesulfonamide
CID 106442047
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
N-[1-(2-chlorophenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999444
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
2-nitro-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217921
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[1-(4-ethylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 22200976
(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide (CID 41083773) is 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
The InChIKey is AVUAQIMEGKGKCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-10(11-6-4-5-9-14-11)15-21(19,20)13-8-3-2-7-12(13)16(17)18/h2-10,15H,1H3/t10-/m1/s1.
What are the key properties of 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide has a molecular weight of 307.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 41083773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).