3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C16H17N3O5S — CID 1346453

IUPAC3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O5S/c1-11-10-13(4-7-15(11)19(21)22)16(20)18-9-8-12-2-5-14(6-3-12)25(17,23)24/h2-7,10H,8-9H2,1H3,(H,18,20)(H2,17,23,24)
InChIKeyRCDJIXDAHSIBCT-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.52
Rot. Bonds6

About 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 1346453) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID1346453
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O5S/c1-11-10-13(4-7-15(11)19(21)22)16(20)18-9-8-12-2-5-14(6-3-12)25(17,23)24/h2-7,10H,8-9H2,1H3,(H,18,20)(H2,17,23,24)
InChIKeyRCDJIXDAHSIBCT-UHFFFAOYSA-N
XLogP1.52
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.52
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'}

Analyze 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)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

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 8781324
4-[(2-chlorophenyl)methylamino]-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538218
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 92659592
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 2557905
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
N-(3-chlorobutyl)-3-methyl-4-nitrobenzamide
CID 114301822
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 1346453) is 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is RCDJIXDAHSIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-11-10-13(4-7-15(11)19(21)22)16(20)18-9-8-12-2-5-14(6-3-12)25(17,23)24/h2-7,10H,8-9H2,1H3,(H,18,20)(H2,17,23,24).
What are the key properties of 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 363.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 1346453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).