N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide

C17H14F3N3O7S — CID 22465641

IUPACN-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N(C(C)=O)C(C)=O)c(F)c2F)cc1F
InChIInChI=1S/C17H14F3N3O7S/c1-8(24)22(9(2)25)17-12(23(26)27)7-14(15(19)16(17)20)31(28,29)21-10-4-5-13(30-3)11(18)6-10/h4-7,21H,1-3H3
InChIKeyMBGDIAAXPUDULI-UHFFFAOYSA-N
MW461.37 g/mol
LogP2.72
Rot. Bonds6

About N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide

N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide (PubChem CID 22465641) has the molecular formula C17H14F3N3O7S and a molecular weight of 461.37 g/mol. Its IUPAC name is N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide
PubChem CID22465641
Molecular FormulaC17H14F3N3O7S
Molecular Weight461.37 g/mol
Exact Mass461.05
IUPAC NameN-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N(C(C)=O)C(C)=O)c(F)c2F)cc1F
InChIInChI=1S/C17H14F3N3O7S/c1-8(24)22(9(2)25)17-12(23(26)27)7-14(15(19)16(17)20)31(28,29)21-10-4-5-13(30-3)11(18)6-10/h4-7,21H,1-3H3
InChIKeyMBGDIAAXPUDULI-UHFFFAOYSA-N
XLogP2.72
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 155578468
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
1-N-(3-fluoro-4-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751443
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-methylbenzamide
CID 16961078
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide?
The IUPAC name of N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide (CID 22465641) is N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide?
The canonical SMILES for N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide is COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N(C(C)=O)C(C)=O)c(F)c2F)cc1F.
What is the InChIKey of N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide?
The InChIKey is MBGDIAAXPUDULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O7S/c1-8(24)22(9(2)25)17-12(23(26)27)7-14(15(19)16(17)20)31(28,29)21-10-4-5-13(30-3)11(18)6-10/h4-7,21H,1-3H3.
What are the key properties of N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide?
N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide has a molecular weight of 461.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2,3-difluoro-4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-6-nitrophenyl]acetamide is sourced from PubChem (CID 22465641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).