N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide

C19H23N3O7S — CID 55531044

IUPACN,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCOCCN(CCOC)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O7S/c1-28-12-10-21(11-13-29-2)19(23)17-8-3-4-9-18(17)20-30(26,27)16-7-5-6-15(14-16)22(24)25/h3-9,14,20H,10-13H2,1-2H3
InChIKeyXFUPVEOGTNTFJU-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.13
Rot. Bonds11

About N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide

N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 55531044) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID55531044
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC NameN,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCOCCN(CCOC)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O7S/c1-28-12-10-21(11-13-29-2)19(23)17-8-3-4-9-18(17)20-30(26,27)16-7-5-6-15(14-16)22(24)25/h3-9,14,20H,10-13H2,1-2H3
InChIKeyXFUPVEOGTNTFJU-UHFFFAOYSA-N
XLogP2.13
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.13
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

2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26549411
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 55362792
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
(4-nitrophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16595511
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 56509825
N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 55443815
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 42983014
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16796569
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide (CID 55531044) is N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide is COCCN(CCOC)C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is XFUPVEOGTNTFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-28-12-10-21(11-13-29-2)19(23)17-8-3-4-9-18(17)20-30(26,27)16-7-5-6-15(14-16)22(24)25/h3-9,14,20H,10-13H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide?
N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 437.47 g/mol, XLogP of 2.13, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55531044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).