3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide

C20H17N3O6S — CID 19062366

IUPAC3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17N3O6S/c1-29-19-11-10-16(23(25)26)13-18(19)21-20(24)14-6-5-7-15(12-14)22-30(27,28)17-8-3-2-4-9-17/h2-13,22H,1H3,(H,21,24)
InChIKeySCECVCSFUJWREQ-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.66
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide

3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 19062366) has the molecular formula C20H17N3O6S and a molecular weight of 427.44 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID19062366
Molecular FormulaC20H17N3O6S
Molecular Weight427.44 g/mol
Exact Mass427.08
IUPAC Name3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17N3O6S/c1-29-19-11-10-16(23(25)26)13-18(19)21-20(24)14-6-5-7-15(12-14)22-30(27,28)17-8-3-2-4-9-17/h2-13,22H,1H3,(H,21,24)
InChIKeySCECVCSFUJWREQ-UHFFFAOYSA-N
XLogP3.66
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.66
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

3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 26696362
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
2-[[3-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 3761371
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108515064
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide (CID 19062366) is 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is SCECVCSFUJWREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6S/c1-29-19-11-10-16(23(25)26)13-18(19)21-20(24)14-6-5-7-15(12-14)22-30(27,28)17-8-3-2-4-9-17/h2-13,22H,1H3,(H,21,24).
What are the key properties of 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide?
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 427.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 19062366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).