2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide

C11H15N3O4S — CID 62380980

IUPAC2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCNC1
InChIInChI=1S/C11H15N3O4S/c1-8-6-10(14(15)16)2-3-11(8)19(17,18)13-9-4-5-12-7-9/h2-3,6,9,12-13H,4-5,7H2,1H3
InChIKeyGBBMFNXDFOZINI-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.54
Rot. Bonds4

About 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide

2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 62380980) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID62380980
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCNC1
InChIInChI=1S/C11H15N3O4S/c1-8-6-10(14(15)16)2-3-11(8)19(17,18)13-9-4-5-12-7-9/h2-3,6,9,12-13H,4-5,7H2,1H3
InChIKeyGBBMFNXDFOZINI-UHFFFAOYSA-N
XLogP0.54
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.54
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

2-chloro-5-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685707
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119967031
2-methyl-4-nitro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63663528
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119967030
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
3-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967226
2,6-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960405
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
CID 71635717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide (CID 62380980) is 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide is Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCNC1.
What is the InChIKey of 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is GBBMFNXDFOZINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-8-6-10(14(15)16)2-3-11(8)19(17,18)13-9-4-5-12-7-9/h2-3,6,9,12-13H,4-5,7H2,1H3.
What are the key properties of 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 62380980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).