4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide

C18H13ClN2O5S — CID 3535744

IUPAC4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C18H13ClN2O5S/c19-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)20-13-5-7-14(8-6-13)21(22)23/h1-12,20H
InChIKeyRUAQVLRYKXYMTH-UHFFFAOYSA-N
MW404.83 g/mol
LogP4.84
Rot. Bonds6

About 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide

4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide (PubChem CID 3535744) has the molecular formula C18H13ClN2O5S and a molecular weight of 404.83 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
PubChem CID3535744
Molecular FormulaC18H13ClN2O5S
Molecular Weight404.83 g/mol
Exact Mass404.02
IUPAC Name4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C18H13ClN2O5S/c19-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)20-13-5-7-14(8-6-13)21(22)23/h1-12,20H
InChIKeyRUAQVLRYKXYMTH-UHFFFAOYSA-N
XLogP4.84
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 54.84
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'}

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide
CID 2797528
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
3-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzenesulfonamide
CID 3865441
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
N-[4-(2-cyano-4-nitrophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 9107537
N-(4-tert-butylphenyl)-4-(3-chloro-2-cyanophenoxy)benzenesulfonamide
CID 3765000
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
N-[3-bromo-4-(4-iodophenoxy)phenyl]-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide
CID 59982364

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide (CID 3535744) is 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide?
The InChIKey is RUAQVLRYKXYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O5S/c19-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)20-13-5-7-14(8-6-13)21(22)23/h1-12,20H.
What are the key properties of 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide?
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide has a molecular weight of 404.83 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 3535744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).