N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide

C14H16F2N4O4S — CID 25341994

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C
InChIInChI=1S/C14H16F2N4O4S/c1-9-6-11(20(21)22)7-12(10(9)2)25(23,24)18(3)8-13-17-4-5-19(13)14(15)16/h4-7,14H,8H2,1-3H3
InChIKeyUZDRLFRYYKSENF-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.62
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide (PubChem CID 25341994) has the molecular formula C14H16F2N4O4S and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide
PubChem CID25341994
Molecular FormulaC14H16F2N4O4S
Molecular Weight374.37 g/mol
Exact Mass374.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C
InChIInChI=1S/C14H16F2N4O4S/c1-9-6-11(20(21)22)7-12(10(9)2)25(23,24)18(3)8-13-17-4-5-19(13)14(15)16/h4-7,14H,8H2,1-3H3
InChIKeyUZDRLFRYYKSENF-UHFFFAOYSA-N
XLogP2.62
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.62
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'}

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Related Compounds

2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309076
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309106
N,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 51249162
6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide
CID 37302683
N-(3-amino-4-methylpentyl)-N,2,3-trimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119992357
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoro-5-methoxy-N-methyl-2-nitroaniline
CID 75379404
N,2,3-trimethyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495371
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide
CID 126797835
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-6-nitroquinoline-4-carbonitrile
CID 133310145
methyl 4-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]butanoate
CID 39666496
N-(2-hydroxyethyl)-2,3-dimethyl-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 43574648
N,2,3-trimethyl-5-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 86825297

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide (CID 25341994) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide?
The InChIKey is UZDRLFRYYKSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O4S/c1-9-6-11(20(21)22)7-12(10(9)2)25(23,24)18(3)8-13-17-4-5-19(13)14(15)16/h4-7,14H,8H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide has a molecular weight of 374.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 25341994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).