N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide

C16H11ClN2O5S2 — CID 22205504

IUPACN-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)cc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H11ClN2O5S2/c17-11-3-5-14(6-4-11)24-15-9-12(8-13(10-15)19(20)21)18-26(22,23)16-2-1-7-25-16/h1-10,18H
InChIKeyFCRXYVTYAGAMPT-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.90
Rot. Bonds6

About N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide

N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide (PubChem CID 22205504) has the molecular formula C16H11ClN2O5S2 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
PubChem CID22205504
Molecular FormulaC16H11ClN2O5S2
Molecular Weight410.86 g/mol
Exact Mass409.98
IUPAC NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)cc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H11ClN2O5S2/c17-11-3-5-14(6-4-11)24-15-9-12(8-13(10-15)19(20)21)18-26(22,23)16-2-1-7-25-16/h1-10,18H
InChIKeyFCRXYVTYAGAMPT-UHFFFAOYSA-N
XLogP4.90
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.90
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-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide
CID 22205497
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide
CID 22205482
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22205488
4-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]benzenesulfonamide
CID 169371299
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
4-methoxy-N-(3-methoxy-5-nitrophenyl)benzenesulfonamide
CID 841402
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 169371120
2-[3-(4-chlorophenoxy)-5-nitroanilino]ethene-1,1,2-tricarbonitrile
CID 168608688
N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 1103084
[3-(3-chloro-4-fluorophenoxy)-5-nitrophenyl]hydrazine
CID 80921755
N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 971680

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide (CID 22205504) is N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)cc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide?
The InChIKey is FCRXYVTYAGAMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O5S2/c17-11-3-5-14(6-4-11)24-15-9-12(8-13(10-15)19(20)21)18-26(22,23)16-2-1-7-25-16/h1-10,18H.
What are the key properties of N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide?
N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide has a molecular weight of 410.86 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22205504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).