2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide

C19H20ClN3O3S — CID 52940836

IUPAC2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide
SMILESCC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H20ClN3O3S/c1-12(2)9-19-22-15-5-3-4-6-16(15)23(19)11-17(24)13-7-8-14(20)18(10-13)27(21,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,21,25,26)
InChIKeyCCLREQDWSPQTMA-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.42
Rot. Bonds6

About 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide

2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide (PubChem CID 52940836) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide
PubChem CID52940836
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide
SMILESCC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H20ClN3O3S/c1-12(2)9-19-22-15-5-3-4-6-16(15)23(19)11-17(24)13-7-8-14(20)18(10-13)27(21,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,21,25,26)
InChIKeyCCLREQDWSPQTMA-UHFFFAOYSA-N
XLogP3.42
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

FK-614
CID 9869229
5-(1h-Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide
CID 50904886
4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide
CID 127045752
4-[2-(Benzimidazol-1-Yl)ethanoyl]-2-Chloranyl-Benzenesulfonamide
CID 127047846
2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide
CID 52940691
5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
CID 52941064
2-Chloro-5-[(2-methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52943104
2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52944687
2-Chloro-5-[(2-propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52945953
2-Chloro-5-{[2-(methylsulfanyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide
CID 52948178
2-Chloro-5-[(2-isopropyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 52949344
5-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
CID 52949626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide (CID 52940836) is 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide is CC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
The InChIKey is CCLREQDWSPQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-12(2)9-19-22-15-5-3-4-6-16(15)23(19)11-17(24)13-7-8-14(20)18(10-13)27(21,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,21,25,26).
What are the key properties of 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide?
2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide has a molecular weight of 405.91 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[2-(2-methylpropyl)benzimidazol-1-yl]acetyl]benzenesulfonamide is sourced from PubChem (CID 52940836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).