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

C21H18ClN3O2S — CID 46379462

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2S/c22-16-9-11-18(12-10-16)28(26,27)25-17-5-3-4-15(14-17)8-13-21-23-19-6-1-2-7-20(19)24-21/h1-7,9-12,14,25H,8,13H2,(H,23,24)
InChIKeyOCKXQDVIYTYEOV-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.80
Rot. Bonds6

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

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide (PubChem CID 46379462) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
PubChem CID46379462
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2S/c22-16-9-11-18(12-10-16)28(26,27)25-17-5-3-4-15(14-17)8-13-21-23-19-6-1-2-7-20(19)24-21/h1-7,9-12,14,25H,8,13H2,(H,23,24)
InChIKeyOCKXQDVIYTYEOV-UHFFFAOYSA-N
XLogP4.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 46379463
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
CID 46379478
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
2-[2-[3-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688369
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
CID 43829289
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 18105180
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
CID 100580950
N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
CID 1264970
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide (CID 46379462) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide is O=S(=O)(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is OCKXQDVIYTYEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c22-16-9-11-18(12-10-16)28(26,27)25-17-5-3-4-15(14-17)8-13-21-23-19-6-1-2-7-20(19)24-21/h1-7,9-12,14,25H,8,13H2,(H,23,24).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide has a molecular weight of 411.91 g/mol, XLogP of 4.80, 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-chlorobenzenesulfonamide is sourced from PubChem (CID 46379462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).