N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide

C20H15N3O6S — CID 2191063

IUPACN-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H15N3O6S/c21-19(24)13-9-11-14(12-10-13)22-20(25)15-5-1-3-7-17(15)30(28,29)18-8-4-2-6-16(18)23(26)27/h1-12H,(H2,21,24)(H,22,25)
InChIKeyLFWZERUSUNIXPO-UHFFFAOYSA-N
MW425.42 g/mol
LogP2.78
Rot. Bonds6

About N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide

N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide (PubChem CID 2191063) has the molecular formula C20H15N3O6S and a molecular weight of 425.42 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
PubChem CID2191063
Molecular FormulaC20H15N3O6S
Molecular Weight425.42 g/mol
Exact Mass425.07
IUPAC NameN-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H15N3O6S/c21-19(24)13-9-11-14(12-10-13)22-20(25)15-5-1-3-7-17(15)30(28,29)18-8-4-2-6-16(18)23(26)27/h1-12H,(H2,21,24)(H,22,25)
InChIKeyLFWZERUSUNIXPO-UHFFFAOYSA-N
XLogP2.78
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 52.78
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

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CID 3112604
N-[4-[(2R)-2-(hydroxycarbamoyl)cyclopentyl]sulfonylphenyl]-4-nitrobenzamide
CID 155547834
4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}-N-(3-nitrophenyl)benzamide
CID 1243076
N-hydroxy-6-(6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide
CID 11848285
N-(2-Methylsulfanylphenyl)-4-nitro-benzamide
CID 877269
N-phenyl-4-(phenylsulfonamido)benzamide
CID 1362627
N-(4-Acetyl-phenyl)-4-benzenesulfonyl-benzamide
CID 1119052
4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide
CID 1243300
N-(2-chlorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1309962
N-[4-(acetylamino)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310106
N-(4-fluorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310552
N-[2-(aminocarbonyl)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 2191770

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide (CID 2191063) is N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide is NC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The InChIKey is LFWZERUSUNIXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O6S/c21-19(24)13-9-11-14(12-10-13)22-20(25)15-5-1-3-7-17(15)30(28,29)18-8-4-2-6-16(18)23(26)27/h1-12H,(H2,21,24)(H,22,25).
What are the key properties of N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide has a molecular weight of 425.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 2191063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).