2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide

C20H14ClF2N3O5S — CID 24581492

IUPAC2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C20H14ClF2N3O5S/c21-18-7-6-17(11-19(18)26(28)29)32(30,31)25(16-4-2-1-3-5-16)12-20(27)24-15-9-13(22)8-14(23)10-15/h1-11H,12H2,(H,24,27)
InChIKeyBABRQKXSFRNXAK-UHFFFAOYSA-N
MW481.86 g/mol
LogP4.36
Rot. Bonds7

About 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide

2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide (PubChem CID 24581492) has the molecular formula C20H14ClF2N3O5S and a molecular weight of 481.86 g/mol. Its IUPAC name is 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide
PubChem CID24581492
Molecular FormulaC20H14ClF2N3O5S
Molecular Weight481.86 g/mol
Exact Mass481.03
IUPAC Name2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C20H14ClF2N3O5S/c21-18-7-6-17(11-19(18)26(28)29)32(30,31)25(16-4-2-1-3-5-16)12-20(27)24-15-9-13(22)8-14(23)10-15/h1-11H,12H2,(H,24,27)
InChIKeyBABRQKXSFRNXAK-UHFFFAOYSA-N
XLogP4.36
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.86
LogP ≤ 54.36
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-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2930433
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 24605335
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
N-(2-chlorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3958510
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 126320810
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
3-(N-(4-chloro-3-nitrophenyl)sulfonyl-4-fluoroanilino)propanamide
CID 86886982
N-(2-chloro-5-nitrophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276759

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide (CID 24581492) is 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide?
The InChIKey is BABRQKXSFRNXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O5S/c21-18-7-6-17(11-19(18)26(28)29)32(30,31)25(16-4-2-1-3-5-16)12-20(27)24-15-9-13(22)8-14(23)10-15/h1-11H,12H2,(H,24,27).
What are the key properties of 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide?
2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide has a molecular weight of 481.86 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 24581492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).