4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide

C18H21N3O3S — CID 46969297

IUPAC4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)cc1C
InChIInChI=1S/C18H21N3O3S/c1-13-12-14(8-9-17(13)24-3)25(22,23)19-11-10-18-20-15-6-4-5-7-16(15)21(18)2/h4-9,12,19H,10-11H2,1-3H3
InChIKeyDYWRHWOCODPDBT-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.41
Rot. Bonds6

About 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide

4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 46969297) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID46969297
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)cc1C
InChIInChI=1S/C18H21N3O3S/c1-13-12-14(8-9-17(13)24-3)25(22,23)19-11-10-18-20-15-6-4-5-7-16(15)21(18)2/h4-9,12,19H,10-11H2,1-3H3
InChIKeyDYWRHWOCODPDBT-UHFFFAOYSA-N
XLogP2.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 55689465
N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711995
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734118
4-methoxy-3-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110722035
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711996
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110294381
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
4-methoxy-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321248
4-methoxy-3-methyl-N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 22584332

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide (CID 46969297) is 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is DYWRHWOCODPDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-12-14(8-9-17(13)24-3)25(22,23)19-11-10-18-20-15-6-4-5-7-16(15)21(18)2/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46969297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).