2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide

C11H10ClN3O4S2 — CID 61045396

IUPAC2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H10ClN3O4S2/c1-14(21(18,19)10-6-13-11(12)20-10)7-8-4-2-3-5-9(8)15(16)17/h2-6H,7H2,1H3
InChIKeyHILFKEPABXIRTJ-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61045396) has the molecular formula C11H10ClN3O4S2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61045396
Molecular FormulaC11H10ClN3O4S2
Molecular Weight347.81 g/mol
Exact Mass346.98
IUPAC Name2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H10ClN3O4S2/c1-14(21(18,19)10-6-13-11(12)20-10)7-8-4-2-3-5-9(8)15(16)17/h2-6H,7H2,1H3
InChIKeyHILFKEPABXIRTJ-UHFFFAOYSA-N
XLogP2.53
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide 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-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107068
2-chloro-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 61422711
N,2,5-trimethyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107036
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433
3-chloro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]propane-1-sulfonamide
CID 79585651
2-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 61042544
2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051360
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 54987200
3-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107028
N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522273
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 35302707
3-chloro-N,4-dimethyl-N-[(2-methylphenyl)methyl]-5-nitrobenzenesulfonamide
CID 8796570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 61045396) is 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide is CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is HILFKEPABXIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S2/c1-14(21(18,19)10-6-13-11(12)20-10)7-8-4-2-3-5-9(8)15(16)17/h2-6H,7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 347.81 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).