4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

C10H13N3O4S — CID 79685610

IUPAC4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C10H13N3O4S/c14-13(15)9-1-3-10(4-2-9)18(16,17)12-8-5-6-11-7-8/h1-4,8,11-12H,5-7H2/t8-/m1/s1
InChIKeyFYPRNWRSVAUMLP-MRVPVSSYSA-N
MW271.30 g/mol
LogP0.23
Rot. Bonds4

About 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79685610) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79685610
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C10H13N3O4S/c14-13(15)9-1-3-10(4-2-9)18(16,17)12-8-5-6-11-7-8/h1-4,8,11-12H,5-7H2/t8-/m1/s1
InChIKeyFYPRNWRSVAUMLP-MRVPVSSYSA-N
XLogP0.23
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
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-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
CID 71635717
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
2-chloro-5-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685707
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62380980
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-hydroxy-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686161
1-(4-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119967259
3-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967226
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119967031
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119967030
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (CID 79685610) is 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1.
What is the InChIKey of 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is FYPRNWRSVAUMLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-13(15)9-1-3-10(4-2-9)18(16,17)12-8-5-6-11-7-8/h1-4,8,11-12H,5-7H2/t8-/m1/s1.
What are the key properties of 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 271.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79685610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).