3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide

C15H19F2N3O2S — CID 146108457

IUPAC3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide
SMILESCC(F)(F)CCS(=O)(=O)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C15H19F2N3O2S/c1-15(16,17)5-8-23(21,22)19-10-13-3-2-4-14(9-13)11-20-7-6-18-12-20/h2-4,6-7,9,12,19H,5,8,10-11H2,1H3
InChIKeyLFDNENANASUTSG-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.40
Rot. Bonds8

About 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide

3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide (PubChem CID 146108457) has the molecular formula C15H19F2N3O2S and a molecular weight of 343.40 g/mol. Its IUPAC name is 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide
PubChem CID146108457
Molecular FormulaC15H19F2N3O2S
Molecular Weight343.40 g/mol
Exact Mass343.12
IUPAC Name3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide
SMILESCC(F)(F)CCS(=O)(=O)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C15H19F2N3O2S/c1-15(16,17)5-8-23(21,22)19-10-13-3-2-4-14(9-13)11-20-7-6-18-12-20/h2-4,6-7,9,12,19H,5,8,10-11H2,1H3
InChIKeyLFDNENANASUTSG-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 55905053
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 75391678
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[3-(methylsulfonylmethyl)phenyl]urea
CID 86871548
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 139004553
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 43917919
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 133409051
1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 166397375

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide?
The IUPAC name of 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide (CID 146108457) is 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide?
The canonical SMILES for 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide is CC(F)(F)CCS(=O)(=O)NCc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide?
The InChIKey is LFDNENANASUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2S/c1-15(16,17)5-8-23(21,22)19-10-13-3-2-4-14(9-13)11-20-7-6-18-12-20/h2-4,6-7,9,12,19H,5,8,10-11H2,1H3.
What are the key properties of 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide?
3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide has a molecular weight of 343.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 146108457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).