2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide

C15H14ClN3O6S — CID 39975932

IUPAC2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C15H14ClN3O6S/c1-25-14-6-3-9(7-13(14)18-26(2,23)24)17-15(20)11-5-4-10(19(21)22)8-12(11)16/h3-8,18H,1-2H3,(H,17,20)
InChIKeyAXBPHLHJCWUNEG-UHFFFAOYSA-N
MW399.81 g/mol
LogP2.88
Rot. Bonds6

About 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide

2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide (PubChem CID 39975932) has the molecular formula C15H14ClN3O6S and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
PubChem CID39975932
Molecular FormulaC15H14ClN3O6S
Molecular Weight399.81 g/mol
Exact Mass399.03
IUPAC Name2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C15H14ClN3O6S/c1-25-14-6-3-9(7-13(14)18-26(2,23)24)17-15(20)11-5-4-10(19(21)22)8-12(11)16/h3-8,18H,1-2H3,(H,17,20)
InChIKeyAXBPHLHJCWUNEG-UHFFFAOYSA-N
XLogP2.88
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 52.88
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

2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
CID 9106447
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963156
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide (CID 39975932) is 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NS(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide?
The InChIKey is AXBPHLHJCWUNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6S/c1-25-14-6-3-9(7-13(14)18-26(2,23)24)17-15(20)11-5-4-10(19(21)22)8-12(11)16/h3-8,18H,1-2H3,(H,17,20).
What are the key properties of 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide?
2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide has a molecular weight of 399.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide is sourced from PubChem (CID 39975932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).