3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide

C16H13F2N3O2S2 — CID 25416983

IUPAC3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
SMILESCn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H13F2N3O2S2/c1-21-7-6-19-16(21)24-14-4-2-13(3-5-14)20-25(22,23)15-9-11(17)8-12(18)10-15/h2-10,20H,1H3
InChIKeyCOKNBHFINXZTCR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.65
Rot. Bonds5

About 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide

3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide (PubChem CID 25416983) has the molecular formula C16H13F2N3O2S2 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
PubChem CID25416983
Molecular FormulaC16H13F2N3O2S2
Molecular Weight381.43 g/mol
Exact Mass381.04
IUPAC Name3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
SMILESCn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H13F2N3O2S2/c1-21-7-6-19-16(21)24-14-4-2-13(3-5-14)20-25(22,23)15-9-11(17)8-12(18)10-15/h2-10,20H,1H3
InChIKeyCOKNBHFINXZTCR-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582019
2,5-dimethyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582018
2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 17394882
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
N-[[3-fluoro-5-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106533962
3-chloro-6-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-benzothiophene-2-carboxamide
CID 55497249
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
4-fluoro-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 24656485
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide (CID 25416983) is 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide is Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
The InChIKey is COKNBHFINXZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S2/c1-21-7-6-19-16(21)24-14-4-2-13(3-5-14)20-25(22,23)15-9-11(17)8-12(18)10-15/h2-10,20H,1H3.
What are the key properties of 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide is sourced from PubChem (CID 25416983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).