N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide

C16H18N4O5S — CID 46476318

IUPACN-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H18N4O5S/c1-17-15-8-7-12(20(22)23)9-13(15)16(21)18-10-11-5-3-4-6-14(11)19-26(2,24)25/h3-9,17,19H,10H2,1-2H3,(H,18,21)
InChIKeyWSJNSWNVUDXHED-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.94
Rot. Bonds7

About N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide

N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide (PubChem CID 46476318) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
PubChem CID46476318
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H18N4O5S/c1-17-15-8-7-12(20(22)23)9-13(15)16(21)18-10-11-5-3-4-6-14(11)19-26(2,24)25/h3-9,17,19H,10H2,1-2H3,(H,18,21)
InChIKeyWSJNSWNVUDXHED-UHFFFAOYSA-N
XLogP1.94
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
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'}

Analyze N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-nitrobenzamide
CID 46455730
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 55549057
N-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 55711111
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666
N-[[4-(methoxymethyl)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46415800
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60972399
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 47787642
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-(1,3-benzodioxol-5-ylmethyl)-2-(methylamino)-5-nitrobenzamide
CID 30267340
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide (CID 46476318) is N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
The InChIKey is WSJNSWNVUDXHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-17-15-8-7-12(20(22)23)9-13(15)16(21)18-10-11-5-3-4-6-14(11)19-26(2,24)25/h3-9,17,19H,10H2,1-2H3,(H,18,21).
What are the key properties of N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide has a molecular weight of 378.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 46476318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).