5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide

C9H13N3O4S — CID 125426684

IUPAC5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide
SMILESCCNc1cc(S(N)(=O)=O)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O4S/c1-3-11-7-5-9(17(10,15)16)6(2)4-8(7)12(13)14/h4-5,11H,3H2,1-2H3,(H2,10,15,16)
InChIKeyZNHCGHQNIRJCBL-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.98
Rot. Bonds4

About 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide

5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide (PubChem CID 125426684) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide
PubChem CID125426684
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide
SMILESCCNc1cc(S(N)(=O)=O)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O4S/c1-3-11-7-5-9(17(10,15)16)6(2)4-8(7)12(13)14/h4-5,11H,3H2,1-2H3,(H2,10,15,16)
InChIKeyZNHCGHQNIRJCBL-UHFFFAOYSA-N
XLogP0.98
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.98
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 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide 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-methyl-5-(methylamino)-4-nitrobenzenesulfonamide
CID 125425598
5-chloro-N-ethyl-4-methyl-2-nitroaniline
CID 174646786
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
4-(ethylamino)-5-nitrophthalic acid
CID 4244645
N,N-diethyl-3-(ethylamino)-4-nitrobenzenesulfonamide
CID 82854182
2-methyl-4-(2-methylprop-2-enoxy)-5-nitrobenzenesulfonamide
CID 82921708
2-methyl-5-nitro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43342373
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
CID 61036669
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
4,5-dimethyl-2-nitro-N-octylaniline
CID 63476739
N-(4,5-dimethyl-2-nitrophenyl)methanesulfonamide
CID 60640719

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide (CID 125426684) is 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide is CCNc1cc(S(N)(=O)=O)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide?
The InChIKey is ZNHCGHQNIRJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-3-11-7-5-9(17(10,15)16)6(2)4-8(7)12(13)14/h4-5,11H,3H2,1-2H3,(H2,10,15,16).
What are the key properties of 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide?
5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 125426684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).