2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide

C16H14Cl3N3O2S — CID 1474209

IUPAC2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H14Cl3N3O2S/c1-8-4-13-15(20-7-22(13)3)14(9(8)2)21-25(23,24)16-11(18)5-10(17)6-12(16)19/h4-7,21H,1-3H3
InChIKeyLWRLQGBUKSBXGB-UHFFFAOYSA-N
MW418.73 g/mol
LogP4.95
Rot. Bonds3

About 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide

2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (PubChem CID 1474209) has the molecular formula C16H14Cl3N3O2S and a molecular weight of 418.73 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
PubChem CID1474209
Molecular FormulaC16H14Cl3N3O2S
Molecular Weight418.73 g/mol
Exact Mass416.99
IUPAC Name2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H14Cl3N3O2S/c1-8-4-13-15(20-7-22(13)3)14(9(8)2)21-25(23,24)16-11(18)5-10(17)6-12(16)19/h4-7,21H,1-3H3
InChIKeyLWRLQGBUKSBXGB-UHFFFAOYSA-N
XLogP4.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (CID 1474209) is 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is Cc1cc2c(ncn2C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C.
What is the InChIKey of 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The InChIKey is LWRLQGBUKSBXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O2S/c1-8-4-13-15(20-7-22(13)3)14(9(8)2)21-25(23,24)16-11(18)5-10(17)6-12(16)19/h4-7,21H,1-3H3.
What are the key properties of 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide has a molecular weight of 418.73 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1474209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).