N,2,3-trimethyl-5-nitrobenzenesulfonamide

C9H12N2O4S — CID 26527022

IUPACN,2,3-trimethyl-5-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C
InChIInChI=1S/C9H12N2O4S/c1-6-4-8(11(12)13)5-9(7(6)2)16(14,15)10-3/h4-5,10H,1-3H3
InChIKeyZGZNEMMHDGMQDC-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.12
Rot. Bonds3

About N,2,3-trimethyl-5-nitrobenzenesulfonamide

N,2,3-trimethyl-5-nitrobenzenesulfonamide (PubChem CID 26527022) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is N,2,3-trimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-nitrobenzenesulfonamide
PubChem CID26527022
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC NameN,2,3-trimethyl-5-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C
InChIInChI=1S/C9H12N2O4S/c1-6-4-8(11(12)13)5-9(7(6)2)16(14,15)10-3/h4-5,10H,1-3H3
InChIKeyZGZNEMMHDGMQDC-UHFFFAOYSA-N
XLogP1.12
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,2,3-trimethyl-5-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

N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
2,3-dimethyl-N-[3-(methylamino)propyl]-5-nitrobenzenesulfonamide;hydrochloride
CID 119965087
N-but-3-yn-2-yl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 114419090
N-(2-chloroprop-2-enyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 115638692
N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 45351483
N-(2-cyanoethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 55023407
2,3-dimethyl-5-nitro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715012
N-(cyclopentylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 43066033
N-(4-hydroxybutan-2-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 115477818
N-cyclopentyloxy-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 83231807
N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26486969

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N,2,3-trimethyl-5-nitrobenzenesulfonamide (CID 26527022) is N,2,3-trimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N,2,3-trimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N,2,3-trimethyl-5-nitrobenzenesulfonamide is CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C.
What is the InChIKey of N,2,3-trimethyl-5-nitrobenzenesulfonamide?
The InChIKey is ZGZNEMMHDGMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6-4-8(11(12)13)5-9(7(6)2)16(14,15)10-3/h4-5,10H,1-3H3.
What are the key properties of N,2,3-trimethyl-5-nitrobenzenesulfonamide?
N,2,3-trimethyl-5-nitrobenzenesulfonamide has a molecular weight of 244.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 26527022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).