2-methoxy-5-nitro-N-propylbenzenesulfonamide

C10H14N2O5S — CID 43213176

IUPAC2-methoxy-5-nitro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H14N2O5S/c1-3-6-11-18(15,16)10-7-8(12(13)14)4-5-9(10)17-2/h4-5,7,11H,3,6H2,1-2H3
InChIKeySNMHMJTXSMPZAG-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.29
Rot. Bonds6

About 2-methoxy-5-nitro-N-propylbenzenesulfonamide

2-methoxy-5-nitro-N-propylbenzenesulfonamide (PubChem CID 43213176) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-propylbenzenesulfonamide
PubChem CID43213176
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-methoxy-5-nitro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H14N2O5S/c1-3-6-11-18(15,16)10-7-8(12(13)14)4-5-9(10)17-2/h4-5,7,11H,3,6H2,1-2H3
InChIKeySNMHMJTXSMPZAG-UHFFFAOYSA-N
XLogP1.29
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.29
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'}

Analyze 2-methoxy-5-nitro-N-propylbenzenesulfonamide 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

4-nitro-N-propyl-2-(propylamino)benzenesulfonamide
CID 62148948
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2961539
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 119981158
N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 63298724
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
N-(2-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754448
N-(4-butan-2-ylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092817

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-propylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-nitro-N-propylbenzenesulfonamide (CID 43213176) is 2-methoxy-5-nitro-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-propylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-nitro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-methoxy-5-nitro-N-propylbenzenesulfonamide?
The InChIKey is SNMHMJTXSMPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-3-6-11-18(15,16)10-7-8(12(13)14)4-5-9(10)17-2/h4-5,7,11H,3,6H2,1-2H3.
What are the key properties of 2-methoxy-5-nitro-N-propylbenzenesulfonamide?
2-methoxy-5-nitro-N-propylbenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-propylbenzenesulfonamide is sourced from PubChem (CID 43213176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).