5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide

C16H17ClN2O6S — CID 110504120

IUPAC5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17ClN2O6S/c1-3-8-25-12-5-6-13(14(10-12)19(20)21)18-26(22,23)16-9-11(17)4-7-15(16)24-2/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyWUIZCFRMEKKJTP-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.85
Rot. Bonds8

About 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide

5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide (PubChem CID 110504120) has the molecular formula C16H17ClN2O6S and a molecular weight of 400.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide
PubChem CID110504120
Molecular FormulaC16H17ClN2O6S
Molecular Weight400.84 g/mol
Exact Mass400.05
IUPAC Name5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17ClN2O6S/c1-3-8-25-12-5-6-13(14(10-12)19(20)21)18-26(22,23)16-9-11(17)4-7-15(16)24-2/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyWUIZCFRMEKKJTP-UHFFFAOYSA-N
XLogP3.85
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.85
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

5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
CID 15983058
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148025
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
N-(4-chloro-2-nitrophenyl)ethanesulfonamide
CID 60642818
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide (CID 110504120) is 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide is CCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide?
The InChIKey is WUIZCFRMEKKJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O6S/c1-3-8-25-12-5-6-13(14(10-12)19(20)21)18-26(22,23)16-9-11(17)4-7-15(16)24-2/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide has a molecular weight of 400.84 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 110504120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).