2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide

C18H18ClN3O3S — CID 52949344

IUPAC2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H18ClN3O3S/c1-11(2)18-21-14-5-3-4-6-15(14)22(18)10-16(23)12-7-8-13(19)17(9-12)26(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25)
InChIKeyWUUDGCDESQAUGH-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.34
Rot. Bonds5

About 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide

2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide (PubChem CID 52949344) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide
PubChem CID52949344
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H18ClN3O3S/c1-11(2)18-21-14-5-3-4-6-15(14)22(18)10-16(23)12-7-8-13(19)17(9-12)26(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25)
InChIKeyWUUDGCDESQAUGH-UHFFFAOYSA-N
XLogP3.34
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide (CID 52949344) is 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide is CC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is WUUDGCDESQAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-11(2)18-21-14-5-3-4-6-15(14)22(18)10-16(23)12-7-8-13(19)17(9-12)26(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25).
What are the key properties of 2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.34, 5 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-propan-2-ylbenzimidazol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 52949344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).