3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide

C15H15N3O5S — CID 39265881

IUPAC3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O5S/c1-10-6-7-12(9-14(10)18(20)21)16-15(19)11-4-3-5-13(8-11)17-24(2,22)23/h3-9,17H,1-2H3,(H,16,19)
InChIKeyHZPYIMIQNWXHSO-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.53
Rot. Bonds5

About 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide

3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 39265881) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID39265881
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O5S/c1-10-6-7-12(9-14(10)18(20)21)16-15(19)11-4-3-5-13(8-11)17-24(2,22)23/h3-9,17H,1-2H3,(H,16,19)
InChIKeyHZPYIMIQNWXHSO-UHFFFAOYSA-N
XLogP2.53
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
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-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide
CID 38323018
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
N-(3-acetylphenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 2929512
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide (CID 39265881) is 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide is Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is HZPYIMIQNWXHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10-6-7-12(9-14(10)18(20)21)16-15(19)11-4-3-5-13(8-11)17-24(2,22)23/h3-9,17H,1-2H3,(H,16,19).
What are the key properties of 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide?
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 349.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 39265881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).