2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

C18H18FN3O3S — CID 126787950

IUPAC2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)c1F
InChIInChI=1S/C18H18FN3O3S/c1-11-4-2-6-16(17(11)19)26(23,24)22-12-7-8-13-14(10-12)21-18(20-13)15-5-3-9-25-15/h2,4,6-8,10,15,22H,3,5,9H2,1H3,(H,20,21)
InChIKeyPLBDQZGLMDYIMN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.66
Rot. Bonds4

About 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 126787950) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID126787950
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)c1F
InChIInChI=1S/C18H18FN3O3S/c1-11-4-2-6-16(17(11)19)26(23,24)22-12-7-8-13-14(10-12)21-18(20-13)15-5-3-9-25-15/h2,4,6-8,10,15,22H,3,5,9H2,1H3,(H,20,21)
InChIKeyPLBDQZGLMDYIMN-UHFFFAOYSA-N
XLogP3.66
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 126787950) is 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is PLBDQZGLMDYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-11-4-2-6-16(17(11)19)26(23,24)22-12-7-8-13-14(10-12)21-18(20-13)15-5-3-9-25-15/h2,4,6-8,10,15,22H,3,5,9H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 126787950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).