2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide

C19H23N3O4S — CID 110292045

IUPAC2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H23N3O4S/c1-14-21-16-7-4-5-8-17(16)22(14)12-6-11-20-27(23,24)19-13-15(25-2)9-10-18(19)26-3/h4-5,7-10,13,20H,6,11-12H2,1-3H3
InChIKeyPNOWXVHGPFHWOQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.73
Rot. Bonds8

About 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide

2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide (PubChem CID 110292045) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
PubChem CID110292045
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H23N3O4S/c1-14-21-16-7-4-5-8-17(16)22(14)12-6-11-20-27(23,24)19-13-15(25-2)9-10-18(19)26-3/h4-5,7-10,13,20H,6,11-12H2,1-3H3
InChIKeyPNOWXVHGPFHWOQ-UHFFFAOYSA-N
XLogP2.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379362
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111353021
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 110718832

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide (CID 110292045) is 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is PNOWXVHGPFHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-21-16-7-4-5-8-17(16)22(14)12-6-11-20-27(23,24)19-13-15(25-2)9-10-18(19)26-3/h4-5,7-10,13,20H,6,11-12H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.73, 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-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 110292045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).