4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide

C16H17N3O3S — CID 110728593

IUPAC4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c(C)c1
InChIInChI=1S/C16H17N3O3S/c1-11-8-13(22-3)5-7-16(11)23(20,21)18-12-4-6-15-14(9-12)17-10-19(15)2/h4-10,18H,1-3H3
InChIKeyCSDUMENUDIQAPJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.69
Rot. Bonds4

About 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide

4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide (PubChem CID 110728593) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
PubChem CID110728593
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c(C)c1
InChIInChI=1S/C16H17N3O3S/c1-11-8-13(22-3)5-7-16(11)23(20,21)18-12-4-6-15-14(9-12)17-10-19(15)2/h4-10,18H,1-3H3
InChIKeyCSDUMENUDIQAPJ-UHFFFAOYSA-N
XLogP2.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
CID 110779156
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062849

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide (CID 110728593) is 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is CSDUMENUDIQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-8-13(22-3)5-7-16(11)23(20,21)18-12-4-6-15-14(9-12)17-10-19(15)2/h4-10,18H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide?
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110728593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).