2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C24H25N3O4S — CID 46379362

IUPAC2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1
InChIInChI=1S/C24H25N3O4S/c1-27-21-11-7-6-10-20(21)25-24(27)15-12-17-8-4-5-9-19(17)26-32(28,29)23-16-18(30-2)13-14-22(23)31-3/h4-11,13-14,16,26H,12,15H2,1-3H3
InChIKeyXWQPWIFMTXTINL-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.18
Rot. Bonds8

About 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 46379362) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID46379362
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1
InChIInChI=1S/C24H25N3O4S/c1-27-21-11-7-6-10-20(21)25-24(27)15-12-17-8-4-5-9-19(17)26-32(28,29)23-16-18(30-2)13-14-22(23)31-3/h4-11,13-14,16,26H,12,15H2,1-3H3
InChIKeyXWQPWIFMTXTINL-UHFFFAOYSA-N
XLogP4.18
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 110732213
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
CID 110292045
2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
2,5-dimethoxy-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzenesulfonamide
CID 110735315
2,5-dimethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562714

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 46379362) is 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is XWQPWIFMTXTINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-27-21-11-7-6-10-20(21)25-24(27)15-12-17-8-4-5-9-19(17)26-32(28,29)23-16-18(30-2)13-14-22(23)31-3/h4-11,13-14,16,26H,12,15H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 46379362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).