4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide

C12H11ClF2N4O4S — CID 37309151

IUPAC4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11ClF2N4O4S/c1-17(7-11-16-4-5-18(11)12(14)15)24(22,23)10-3-2-8(13)6-9(10)19(20)21/h2-6,12H,7H2,1H3
InChIKeyPHZVYPLRQVFGAF-UHFFFAOYSA-N
MW380.76 g/mol
LogP2.66
Rot. Bonds6

About 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide

4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 37309151) has the molecular formula C12H11ClF2N4O4S and a molecular weight of 380.76 g/mol. Its IUPAC name is 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide
PubChem CID37309151
Molecular FormulaC12H11ClF2N4O4S
Molecular Weight380.76 g/mol
Exact Mass380.02
IUPAC Name4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11ClF2N4O4S/c1-17(7-11-16-4-5-18(11)12(14)15)24(22,23)10-3-2-8(13)6-9(10)19(20)21/h2-6,12H,7H2,1H3
InChIKeyPHZVYPLRQVFGAF-UHFFFAOYSA-N
XLogP2.66
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 52.66
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 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-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-Ethyl-1-(2-nitro-benzenesulfonyl)-1H-imidazole
CID 699058
1-(2-Chloro-5-nitro-benzenesulfonyl)-2-methyl-1H-imidazole
CID 775762
1-Chloro-2-{[2-(methylethyl)imidazolyl]sulfonyl}-4-nitrobenzene
CID 3918216
1-Chloro-4-[(2-methylimidazolyl)sulfonyl]-2-nitrobenzene
CID 3648496
N-(3-chloro-4-fluorophenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 22576663
N-(3-chlorophenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 53008169
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 16577062
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-(3-nitrophenyl)sulfonylpiperazine
CID 16577063
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 25347889
3-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide
CID 30808038
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-nitrobenzenesulfonamide
CID 37309068
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 45872406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide (CID 37309151) is 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide is CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is PHZVYPLRQVFGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O4S/c1-17(7-11-16-4-5-18(11)12(14)15)24(22,23)10-3-2-8(13)6-9(10)19(20)21/h2-6,12H,7H2,1H3.
What are the key properties of 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide?
4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 380.76 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 37309151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).