N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide

C15H15N3O6S — CID 55880156

IUPACN-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C15H15N3O6S/c1-10(19)16-11-4-3-5-12(8-11)17-25(22,23)15-7-6-13(18(20)21)9-14(15)24-2/h3-9,17H,1-2H3,(H,16,19)
InChIKeyKUKWFXCKVDGPIS-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.36
Rot. Bonds6

About N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide

N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55880156) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide
PubChem CID55880156
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC NameN-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C15H15N3O6S/c1-10(19)16-11-4-3-5-12(8-11)17-25(22,23)15-7-6-13(18(20)21)9-14(15)24-2/h3-9,17H,1-2H3,(H,16,19)
InChIKeyKUKWFXCKVDGPIS-UHFFFAOYSA-N
XLogP2.36
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-ethynylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60531704
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
CID 55895075
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191
N-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690
2-methoxy-4-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 47062695
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
(2S)-2-[(2-methoxy-4-nitrophenyl)sulfonylamino]propanoic acid
CID 61132115
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide (CID 55880156) is N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide is COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is KUKWFXCKVDGPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-10(19)16-11-4-3-5-12(8-11)17-25(22,23)15-7-6-13(18(20)21)9-14(15)24-2/h3-9,17H,1-2H3,(H,16,19).
What are the key properties of N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide?
N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 365.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55880156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).