N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide

C16H17N3O3S — CID 110760456

IUPACN-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C16H17N3O3S/c1-11-17-15-10-14(7-8-16(15)19(11)2)23(20,21)18-12-5-4-6-13(9-12)22-3/h4-10,18H,1-3H3
InChIKeyRYRHZQIZBUCXST-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.69
Rot. Bonds4

About N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide

N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide (PubChem CID 110760456) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
PubChem CID110760456
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C16H17N3O3S/c1-11-17-15-10-14(7-8-16(15)19(11)2)23(20,21)18-12-5-4-6-13(9-12)22-3/h4-10,18H,1-3H3
InChIKeyRYRHZQIZBUCXST-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

N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53074945
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760458
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide (CID 110760456) is N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc3c(c2)nc(C)n3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is RYRHZQIZBUCXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-17-15-10-14(7-8-16(15)19(11)2)23(20,21)18-12-5-4-6-13(9-12)22-3/h4-10,18H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide 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 N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).