2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide

C10H13N3O5S — CID 168730220

IUPAC2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N[C@H]2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5S/c11-19(16,17)9-4-3-7(6-8(9)13(14)15)12-10-2-1-5-18-10/h3-4,6,10,12H,1-2,5H2,(H2,11,16,17)/t10-/m1/s1
InChIKeyJOUCAAMKVOHOBD-SNVBAGLBSA-N
MW287.30 g/mol
LogP0.79
Rot. Bonds4

About 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide

2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide (PubChem CID 168730220) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide
PubChem CID168730220
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N[C@H]2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5S/c11-19(16,17)9-4-3-7(6-8(9)13(14)15)12-10-2-1-5-18-10/h3-4,6,10,12H,1-2,5H2,(H2,11,16,17)/t10-/m1/s1
InChIKeyJOUCAAMKVOHOBD-SNVBAGLBSA-N
XLogP0.79
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
CID 70173345
2-nitro-4-(thian-4-ylmethylamino)benzenesulfonamide
CID 122153984
2-nitro-4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonic acid
CID 42533832
2-methyl-5-nitro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
CID 43342372
N-(4-bromo-3-nitrophenyl)oxan-3-amine
CID 79767288
N-(3-methylsulfonyl-4-nitrophenyl)oxan-3-amine
CID 133401321
4-fluoro-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 113220624
4-(methylamino)-2-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 62146487
4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide
CID 165134449
N-(4-bromo-3-nitrophenyl)-2-methyloxolan-3-amine
CID 82718581
N-(3-bromo-4-nitrophenyl)oxepan-4-amine
CID 82865027
N-cyclopentyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62149673

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide?
The IUPAC name of 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide (CID 168730220) is 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(N[C@H]2CCCO2)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide?
The InChIKey is JOUCAAMKVOHOBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-19(16,17)9-4-3-7(6-8(9)13(14)15)12-10-2-1-5-18-10/h3-4,6,10,12H,1-2,5H2,(H2,11,16,17)/t10-/m1/s1.
What are the key properties of 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide?
2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide has a molecular weight of 287.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 168730220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).