2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide

C16H17N3O5S — CID 51336376

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O5S/c1-11-13(8-6-10-14(11)19(21)22)17-16(20)12-7-4-5-9-15(12)18(2)25(3,23)24/h4-10H,1-3H3,(H,17,20)
InChIKeyIZDZRNOWPMKIBI-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.55
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 51336376) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID51336376
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O5S/c1-11-13(8-6-10-14(11)19(21)22)17-16(20)12-7-4-5-9-15(12)18(2)25(3,23)24/h4-10H,1-3H3,(H,17,20)
InChIKeyIZDZRNOWPMKIBI-UHFFFAOYSA-N
XLogP2.55
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.55
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

2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001301
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
CID 133251735
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
(2-methyl-3-nitrophenyl)urea
CID 22416531
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide (CID 51336376) is 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is IZDZRNOWPMKIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-11-13(8-6-10-14(11)19(21)22)17-16(20)12-7-4-5-9-15(12)18(2)25(3,23)24/h4-10H,1-3H3,(H,17,20).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 363.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 51336376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).