4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide

C17H16Cl2FN3O2S — CID 59177011

IUPAC4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21
InChIInChI=1S/C17H16Cl2FN3O2S/c1-3-23-16-8-13(19)14(20)9-15(16)21-17(23)10(2)22-26(24,25)12-6-4-11(18)5-7-12/h4-10,22H,3H2,1-2H3/t10-/m1/s1
InChIKeyJTJHWPZHGXPNLS-SNVBAGLBSA-N
MW416.31 g/mol
LogP4.54
Rot. Bonds5

About 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177011) has the molecular formula C17H16Cl2FN3O2S and a molecular weight of 416.31 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID59177011
Molecular FormulaC17H16Cl2FN3O2S
Molecular Weight416.31 g/mol
Exact Mass415.03
IUPAC Name4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21
InChIInChI=1S/C17H16Cl2FN3O2S/c1-3-23-16-8-13(19)14(20)9-15(16)21-17(23)10(2)22-26(24,25)12-6-4-11(18)5-7-12/h4-10,22H,3H2,1-2H3/t10-/m1/s1
InChIKeyJTJHWPZHGXPNLS-SNVBAGLBSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide (CID 59177011) is 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21.
What is the InChIKey of 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JTJHWPZHGXPNLS-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2S/c1-3-23-16-8-13(19)14(20)9-15(16)21-17(23)10(2)22-26(24,25)12-6-4-11(18)5-7-12/h4-10,22H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 416.31 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).