3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

C15H11ClF3N3O2S — CID 3608077

IUPAC3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1Cl
InChIInChI=1S/C15H11ClF3N3O2S/c1-8-2-4-10(7-11(8)16)25(23,24)22-9-3-5-12-13(6-9)21-14(20-12)15(17,18)19/h2-7,22H,1H3,(H,20,21)
InChIKeyFXRQABHNRWYFAX-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 3608077) has the molecular formula C15H11ClF3N3O2S and a molecular weight of 389.79 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID3608077
Molecular FormulaC15H11ClF3N3O2S
Molecular Weight389.79 g/mol
Exact Mass389.02
IUPAC Name3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1Cl
InChIInChI=1S/C15H11ClF3N3O2S/c1-8-2-4-10(7-11(8)16)25(23,24)22-9-3-5-12-13(6-9)21-14(20-12)15(17,18)19/h2-7,22H,1H3,(H,20,21)
InChIKeyFXRQABHNRWYFAX-UHFFFAOYSA-N
XLogP4.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 3608077) is 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is FXRQABHNRWYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2S/c1-8-2-4-10(7-11(8)16)25(23,24)22-9-3-5-12-13(6-9)21-14(20-12)15(17,18)19/h2-7,22H,1H3,(H,20,21).
What are the key properties of 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 389.79 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 3608077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).