N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide

C14H13ClN2O6S — CID 8822417

IUPACN-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H13ClN2O6S/c1-22-12-5-3-9(15)7-11(12)16-24(20,21)14-8-10(17(18)19)4-6-13(14)23-2/h3-8,16H,1-2H3
InChIKeyCJPXPXZXAVVREQ-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.07
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 8822417) has the molecular formula C14H13ClN2O6S and a molecular weight of 372.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID8822417
Molecular FormulaC14H13ClN2O6S
Molecular Weight372.79 g/mol
Exact Mass372.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H13ClN2O6S/c1-22-12-5-3-9(15)7-11(12)16-24(20,21)14-8-10(17(18)19)4-6-13(14)23-2/h3-8,16H,1-2H3
InChIKeyCJPXPXZXAVVREQ-UHFFFAOYSA-N
XLogP3.07
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822841
N-(4-bromo-2-fluorophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
CID 15983058
2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 26951385
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide (CID 8822417) is N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is CJPXPXZXAVVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O6S/c1-22-12-5-3-9(15)7-11(12)16-24(20,21)14-8-10(17(18)19)4-6-13(14)23-2/h3-8,16H,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 372.79 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 8822417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).