N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide

C20H15ClN2O5S — CID 126188766

IUPACN-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN2O5S/c1-13-10-11-14(21)12-16(13)22-20(24)15-6-2-4-8-18(15)29(27,28)19-9-5-3-7-17(19)23(25)26/h2-12H,1H3,(H,22,24)
InChIKeyLRLFDWLJCVCIFW-UHFFFAOYSA-N
MW430.87 g/mol
LogP4.64
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide

N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide (PubChem CID 126188766) has the molecular formula C20H15ClN2O5S and a molecular weight of 430.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
PubChem CID126188766
Molecular FormulaC20H15ClN2O5S
Molecular Weight430.87 g/mol
Exact Mass430.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN2O5S/c1-13-10-11-14(21)12-16(13)22-20(24)15-6-2-4-8-18(15)29(27,28)19-9-5-3-7-17(19)23(25)26/h2-12H,1H3,(H,22,24)
InChIKeyLRLFDWLJCVCIFW-UHFFFAOYSA-N
XLogP4.64
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
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

N-(4-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126183020
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
2-methyl-N-(2-methyl-5-methylsulfonylphenyl)-3-nitrobenzamide
CID 27990756
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18148870
N-(5-chloro-2-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655862
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
methyl 4-methyl-3-[(2-nitrobenzoyl)amino]benzoate
CID 7748739
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide (CID 126188766) is N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide is Cc1ccc(Cl)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The InChIKey is LRLFDWLJCVCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5S/c1-13-10-11-14(21)12-16(13)22-20(24)15-6-2-4-8-18(15)29(27,28)19-9-5-3-7-17(19)23(25)26/h2-12H,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide has a molecular weight of 430.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 126188766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).