N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide

C15H14FN3O5S — CID 60608176

IUPACN-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O5S/c1-10-5-6-13(8-14(10)19(21)22)25(23,24)17-9-15(20)18-12-4-2-3-11(16)7-12/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyBOCCSUNJKSTESQ-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.96
Rot. Bonds6

About N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide

N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide (PubChem CID 60608176) has the molecular formula C15H14FN3O5S and a molecular weight of 367.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide
PubChem CID60608176
Molecular FormulaC15H14FN3O5S
Molecular Weight367.36 g/mol
Exact Mass367.06
IUPAC NameN-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O5S/c1-10-5-6-13(8-14(10)19(21)22)25(23,24)17-9-15(20)18-12-4-2-3-11(16)7-12/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyBOCCSUNJKSTESQ-UHFFFAOYSA-N
XLogP1.96
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
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

2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 46406821
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 52813347
N-(3,3-dimethyl-2-oxobutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64994000
4-methyl-N-(2-methylprop-2-enyl)-3-nitrobenzenesulfonamide
CID 114616455
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000466
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
N-(3-acetylphenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 2929512
N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 9020291
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide (CID 60608176) is N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is BOCCSUNJKSTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5S/c1-10-5-6-13(8-14(10)19(21)22)25(23,24)17-9-15(20)18-12-4-2-3-11(16)7-12/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide?
N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 367.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 60608176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).