N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide

C15H15N3O4S — CID 110724381

IUPACN-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H15N3O4S/c1-21-11-4-6-14(22-2)15(8-11)23(19,20)18-10-3-5-12-13(7-10)17-9-16-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyYFQPTKXSLOFSLP-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.38
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide

N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 110724381) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID110724381
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H15N3O4S/c1-21-11-4-6-14(22-2)15(8-11)23(19,20)18-10-3-5-12-13(7-10)17-9-16-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyYFQPTKXSLOFSLP-UHFFFAOYSA-N
XLogP2.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563253
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide (CID 110724381) is N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is YFQPTKXSLOFSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-11-4-6-14(22-2)15(8-11)23(19,20)18-10-3-5-12-13(7-10)17-9-16-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide?
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110724381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).