N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide

C10H13N3O5S — CID 40718557

IUPACN-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O5S/c1-19(17,18)12-7-6-11-10(14)8-2-4-9(5-3-8)13(15)16/h2-5,12H,6-7H2,1H3,(H,11,14)
InChIKeyLRASRPKMAHHYTP-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.13
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide

N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide (PubChem CID 40718557) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
PubChem CID40718557
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC NameN-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O5S/c1-19(17,18)12-7-6-11-10(14)8-2-4-9(5-3-8)13(15)16/h2-5,12H,6-7H2,1H3,(H,11,14)
InChIKeyLRASRPKMAHHYTP-UHFFFAOYSA-N
XLogP-0.13
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[2-(methanesulfonamido)ethyl]-4-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

4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
CID 62155328
N-(2-ethylsulfonylethyl)-4-nitrobenzamide
CID 51108652
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
6-[(4-nitrobenzoyl)amino]hexyl methanesulfonate
CID 101182863
4-methylsulfonyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 55542230
N-(2-cyanoethyl)-4-nitrobenzamide
CID 517993
CID 23358530
CID 23358530
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
4-nitro-N-(3-silylpropyl)benzamide
CID 123594916
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide (CID 40718557) is N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide is CS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide?
The InChIKey is LRASRPKMAHHYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-19(17,18)12-7-6-11-10(14)8-2-4-9(5-3-8)13(15)16/h2-5,12H,6-7H2,1H3,(H,11,14).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide?
N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide has a molecular weight of 287.30 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 40718557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).