N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide

C15H19F3N4O3S — CID 170103356

IUPACN-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N(C)CCN(C)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H19F3N4O3S/c1-4-26(23,24)22(3)8-7-21(2)10-14-19-12-6-5-11(9-13(12)20-14)25-15(16,17)18/h4-6,9H,1,7-8,10H2,2-3H3,(H,19,20)
InChIKeySXMZSDKOWQAIKN-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.30
Rot. Bonds8

About N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide

N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide (PubChem CID 170103356) has the molecular formula C15H19F3N4O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide
PubChem CID170103356
Molecular FormulaC15H19F3N4O3S
Molecular Weight392.40 g/mol
Exact Mass392.11
IUPAC NameN-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N(C)CCN(C)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H19F3N4O3S/c1-4-26(23,24)22(3)8-7-21(2)10-14-19-12-6-5-11(9-13(12)20-14)25-15(16,17)18/h4-6,9H,1,7-8,10H2,2-3H3,(H,19,20)
InChIKeySXMZSDKOWQAIKN-UHFFFAOYSA-N
XLogP2.30
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide with MolForge

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Related Compounds

2-methylsulfonyl-6-(trifluoromethoxy)-1H-benzimidazole
CID 11507419
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 170102245
2,2-dimethyl-4-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]butanenitrile
CID 146077578
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
6-ethylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]-1H-benzimidazole
CID 71519004
2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine
CID 155472720
2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
CID 155599071
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 131900540
1,1,1-trifluoro-N-[2-[2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53345445
ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 144970353

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide?
The IUPAC name of N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide (CID 170103356) is N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide is C=CS(=O)(=O)N(C)CCN(C)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide?
The InChIKey is SXMZSDKOWQAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3S/c1-4-26(23,24)22(3)8-7-21(2)10-14-19-12-6-5-11(9-13(12)20-14)25-15(16,17)18/h4-6,9H,1,7-8,10H2,2-3H3,(H,19,20).
What are the key properties of N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide?
N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide has a molecular weight of 392.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide is sourced from PubChem (CID 170103356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).