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

C16H14Cl3N3O2S — CID 1474191

IUPAC2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C
InChIInChI=1S/C16H14Cl3N3O2S/c1-8-4-13-16(20-7-22(13)3)15(9(8)2)21-25(23,24)14-6-11(18)10(17)5-12(14)19/h4-7,21H,1-3H3
InChIKeyZQDROZJKBSHYIW-UHFFFAOYSA-N
MW418.73 g/mol
LogP4.95
Rot. Bonds3

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

2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (PubChem CID 1474191) has the molecular formula C16H14Cl3N3O2S and a molecular weight of 418.73 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
PubChem CID1474191
Molecular FormulaC16H14Cl3N3O2S
Molecular Weight418.73 g/mol
Exact Mass416.99
IUPAC Name2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C
InChIInChI=1S/C16H14Cl3N3O2S/c1-8-4-13-16(20-7-22(13)3)15(9(8)2)21-25(23,24)14-6-11(18)10(17)5-12(14)19/h4-7,21H,1-3H3
InChIKeyZQDROZJKBSHYIW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474204
4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474186
2,4,5-trichloro-N-[1-[(3-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 3512894
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
3,5-dichloro-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479116
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367
3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 1479149
2,4,5-trichloro-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22205236
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
2,4,5-trichloro-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 22202034
2,4,5-trichloro-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135165
4-tert-butyl-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479134

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (CID 1474191) is 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is Cc1cc2c(ncn2C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C.
What is the InChIKey of 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The InChIKey is ZQDROZJKBSHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O2S/c1-8-4-13-16(20-7-22(13)3)15(9(8)2)21-25(23,24)14-6-11(18)10(17)5-12(14)19/h4-7,21H,1-3H3.
What are the key properties of 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
2,4,5-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 2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1474191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).