N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide

C16H18F2N4O2S — CID 126797835

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c2ccccc2n1C
InChIInChI=1S/C16H18F2N4O2S/c1-11-15(12-6-4-5-7-13(12)21(11)3)25(23,24)20(2)10-14-19-8-9-22(14)16(17)18/h4-9,16H,10H2,1-3H3
InChIKeyFABDZQCHVWAGSV-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.90
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide (PubChem CID 126797835) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide
PubChem CID126797835
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c2ccccc2n1C
InChIInChI=1S/C16H18F2N4O2S/c1-11-15(12-6-4-5-7-13(12)21(11)3)25(23,24)20(2)10-14-19-8-9-22(14)16(17)18/h4-9,16H,10H2,1-3H3
InChIKeyFABDZQCHVWAGSV-UHFFFAOYSA-N
XLogP2.90
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 37309071
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309106
6-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyridine-3-sulfonamide
CID 37302683
2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309076
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 25341994
1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine
CID 38773020
2-[(1,2-dimethylindol-3-yl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072175
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide
CID 75441699
2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664874
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide (CID 126797835) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide is Cc1c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c2ccccc2n1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide?
The InChIKey is FABDZQCHVWAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-11-15(12-6-4-5-7-13(12)21(11)3)25(23,24)20(2)10-14-19-8-9-22(14)16(17)18/h4-9,16H,10H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide has a molecular weight of 368.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide is sourced from PubChem (CID 126797835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).