3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide

C16H18N4O5S — CID 41275762

IUPAC3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O5S/c1-26(24,25)19-13-6-4-5-12(11-13)16(21)18-10-9-17-14-7-2-3-8-15(14)20(22)23/h2-8,11,17,19H,9-10H2,1H3,(H,18,21)
InChIKeyIYPINLPIFKAASC-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.81
Rot. Bonds8

About 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide

3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide (PubChem CID 41275762) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide
PubChem CID41275762
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O5S/c1-26(24,25)19-13-6-4-5-12(11-13)16(21)18-10-9-17-14-7-2-3-8-15(14)20(22)23/h2-8,11,17,19H,9-10H2,1H3,(H,18,21)
InChIKeyIYPINLPIFKAASC-UHFFFAOYSA-N
XLogP1.81
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide 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

3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
3-acetamido-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide
CID 24551372
3-(methoxymethyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278890
3-(difluoromethoxy)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278108
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
1-methylsulfonyl-N-[2-(2-nitroanilino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 9278923
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(methanesulfonamido)benzamide
CID 37043981
3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
CID 9278422
3-(benzylsulfamoyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420445
4-methyl-N-[2-(2-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41275493

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide (CID 41275762) is 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide?
The InChIKey is IYPINLPIFKAASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-26(24,25)19-13-6-4-5-12(11-13)16(21)18-10-9-17-14-7-2-3-8-15(14)20(22)23/h2-8,11,17,19H,9-10H2,1H3,(H,18,21).
What are the key properties of 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide?
3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide has a molecular weight of 378.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 41275762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).