N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide

C16H17N3O5S — CID 38299823

IUPACN-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1NS(C)(=O)=O
InChIInChI=1S/C16H17N3O5S/c1-10-5-4-6-13(15(10)19(21)22)16(20)17-12-7-8-14(11(2)9-12)18-25(3,23)24/h4-9,18H,1-3H3,(H,17,20)
InChIKeyUELIQWWBEZBABO-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide

N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide (PubChem CID 38299823) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide
PubChem CID38299823
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1NS(C)(=O)=O
InChIInChI=1S/C16H17N3O5S/c1-10-5-4-6-13(15(10)19(21)22)16(20)17-12-7-8-14(11(2)9-12)18-25(3,23)24/h4-9,18H,1-3H3,(H,17,20)
InChIKeyUELIQWWBEZBABO-UHFFFAOYSA-N
XLogP2.84
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.84
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-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 31302777
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 35933008
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-(4-bromo-3-fluorophenyl)-3-methyl-2-nitrobenzamide
CID 65430673
N-(2-bromo-4-methylphenyl)-3-methyl-2-nitrobenzamide
CID 7929827
N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
CID 5070149
3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
CID 1307165
3-methyl-2-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 31245458
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide (CID 38299823) is N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide is Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide?
The InChIKey is UELIQWWBEZBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10-5-4-6-13(15(10)19(21)22)16(20)17-12-7-8-14(11(2)9-12)18-25(3,23)24/h4-9,18H,1-3H3,(H,17,20).
What are the key properties of N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide?
N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide has a molecular weight of 363.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 38299823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).