N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide

C22H20FN3O2S — CID 46379463

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)ccc1F
InChIInChI=1S/C22H20FN3O2S/c1-15-13-18(10-11-19(15)23)29(27,28)26-17-6-4-5-16(14-17)9-12-22-24-20-7-2-3-8-21(20)25-22/h2-8,10-11,13-14,26H,9,12H2,1H3,(H,24,25)
InChIKeyVYPMBMHWTXXZCI-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.60
Rot. Bonds6

About N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 46379463) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID46379463
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)ccc1F
InChIInChI=1S/C22H20FN3O2S/c1-15-13-18(10-11-19(15)23)29(27,28)26-17-6-4-5-16(14-17)9-12-22-24-20-7-2-3-8-21(20)25-22/h2-8,10-11,13-14,26H,9,12H2,1H3,(H,24,25)
InChIKeyVYPMBMHWTXXZCI-UHFFFAOYSA-N
XLogP4.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
CID 46379478
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 146024065
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 24612843
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 46379463) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)ccc1F.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is VYPMBMHWTXXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-15-13-18(10-11-19(15)23)29(27,28)26-17-6-4-5-16(14-17)9-12-22-24-20-7-2-3-8-21(20)25-22/h2-8,10-11,13-14,26H,9,12H2,1H3,(H,24,25).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 409.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 46379463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).