N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide

C15H20N2O6S — CID 39697483

IUPACN-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H20N2O6S/c1-22-14-5-4-13(17(18)19)8-15(14)24(20,21)16(12-2-3-12)9-11-6-7-23-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyVUKZUITUVFCYJL-NSHDSACASA-N
MW356.40 g/mol
LogP1.79
Rot. Bonds7

About N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide

N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 39697483) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID39697483
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC NameN-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H20N2O6S/c1-22-14-5-4-13(17(18)19)8-15(14)24(20,21)16(12-2-3-12)9-11-6-7-23-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyVUKZUITUVFCYJL-NSHDSACASA-N
XLogP1.79
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]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

3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527
N-cyclopropyl-2-methoxy-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 39635425
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 51248989
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535
N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide (CID 39697483) is N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is VUKZUITUVFCYJL-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-22-14-5-4-13(17(18)19)8-15(14)24(20,21)16(12-2-3-12)9-11-6-7-23-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide?
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 356.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 39697483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).