N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide

C15H15N3O2S — CID 110724401

IUPACN-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N3O2S/c19-21(20,9-8-12-4-2-1-3-5-12)18-13-6-7-14-15(10-13)17-11-16-14/h1-7,10-11,18H,8-9H2,(H,16,17)
InChIKeyWMSBKEYRPXQTFI-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.55
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide

N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide (PubChem CID 110724401) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
PubChem CID110724401
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N3O2S/c19-21(20,9-8-12-4-2-1-3-5-12)18-13-6-7-14-15(10-13)17-11-16-14/h1-7,10-11,18H,8-9H2,(H,16,17)
InChIKeyWMSBKEYRPXQTFI-UHFFFAOYSA-N
XLogP2.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3H-benzimidazol-5-amine
CID 53441479
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)-2-phenylethanesulfonamide
CID 50839837
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
CID 110724188
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
3H-benzimidazol-5-yl-[4-(2-phenylethylsulfonyl)piperazin-1-yl]methanone
CID 110347120
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide (CID 110724401) is N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide?
The InChIKey is WMSBKEYRPXQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-21(20,9-8-12-4-2-1-3-5-12)18-13-6-7-14-15(10-13)17-11-16-14/h1-7,10-11,18H,8-9H2,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide?
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 110724401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).