4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride

C18H24ClN5O4S2 — CID 45262896

IUPAC4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCN(CCNc1nc2ccccc2n1C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C18H23N5O4S2.ClH/c1-22(13-12-19-18-20-16-6-4-5-7-17(16)23(18)2)29(26,27)15-10-8-14(9-11-15)21-28(3,24)25;/h4-11,21H,12-13H2,1-3H3,(H,19,20);1H
InChIKeyIPEAOIDMSPNZQF-UHFFFAOYSA-N
MW474.01 g/mol
LogP2.10
Rot. Bonds8

About 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride

4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 45262896) has the molecular formula C18H24ClN5O4S2 and a molecular weight of 474.01 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID45262896
Molecular FormulaC18H24ClN5O4S2
Molecular Weight474.01 g/mol
Exact Mass473.10
IUPAC Name4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCN(CCNc1nc2ccccc2n1C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C18H23N5O4S2.ClH/c1-22(13-12-19-18-20-16-6-4-5-7-17(16)23(18)2)29(26,27)15-10-8-14(9-11-15)21-28(3,24)25;/h4-11,21H,12-13H2,1-3H3,(H,19,20);1H
InChIKeyIPEAOIDMSPNZQF-UHFFFAOYSA-N
XLogP2.10
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.01
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 19876810
4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide
CID 19876802
N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide
CID 15142713
4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide
CID 15142706
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
sodium 1-methylbenzimidazole-2-sulfonate
CID 16637177
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
CID 103868131
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride (CID 45262896) is 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride is CN(CCNc1nc2ccccc2n1C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is IPEAOIDMSPNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S2.ClH/c1-22(13-12-19-18-20-16-6-4-5-7-17(16)23(18)2)29(26,27)15-10-8-14(9-11-15)21-28(3,24)25;/h4-11,21H,12-13H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride?
4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 474.01 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-methyl-N-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 45262896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).