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

C16H15Cl2N3O2S — CID 1474204

IUPAC2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H15Cl2N3O2S/c1-9-6-13-16(19-8-21(13)3)15(10(9)2)20-24(22,23)14-5-4-11(17)7-12(14)18/h4-8,20H,1-3H3
InChIKeyPIOYEPQPYAMZRN-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.30
Rot. Bonds3

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

2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (PubChem CID 1474204) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
PubChem CID1474204
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H15Cl2N3O2S/c1-9-6-13-16(19-8-21(13)3)15(10(9)2)20-24(22,23)14-5-4-11(17)7-12(14)18/h4-8,20H,1-3H3
InChIKeyPIOYEPQPYAMZRN-UHFFFAOYSA-N
XLogP4.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474191
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-dichloro-N-(1-methylindol-5-yl)benzenesulfonamide
CID 59823134
3,5-dichloro-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479116
3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 1479149
2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide
CID 59514150
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 110760324
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367
2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3851178
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (CID 1474204) is 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is Cc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The InChIKey is PIOYEPQPYAMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-9-6-13-16(19-8-21(13)3)15(10(9)2)20-24(22,23)14-5-4-11(17)7-12(14)18/h4-8,20H,1-3H3.
What are the key properties of 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide has a molecular weight of 384.29 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1474204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).