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

C18H24ClN5O4S2 — CID 19876810

IUPAC4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCNc1nc2ccccc2n1CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C18H23N5O4S2.ClH/c1-19-18-20-16-6-4-5-7-17(16)23(18)13-12-22(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
InChIKeyQEPCPSTVOCPLKQ-UHFFFAOYSA-N
MW474.01 g/mol
LogP2.19
Rot. Bonds8

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

4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 19876810) has the molecular formula C18H24ClN5O4S2 and a molecular weight of 474.01 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID19876810
Molecular FormulaC18H24ClN5O4S2
Molecular Weight474.01 g/mol
Exact Mass473.10
IUPAC Name4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCNc1nc2ccccc2n1CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C18H23N5O4S2.ClH/c1-19-18-20-16-6-4-5-7-17(16)23(18)13-12-22(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
InChIKeyQEPCPSTVOCPLKQ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride (CID 19876810) is 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride is CNc1nc2ccccc2n1CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of 4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is QEPCPSTVOCPLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S2.ClH/c1-19-18-20-16-6-4-5-7-17(16)23(18)13-12-22(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-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride?
4-(methanesulfonamido)-N-methyl-N-[2-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 474.01 g/mol, XLogP of 2.19, 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-[2-(methylamino)benzimidazol-1-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 19876810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).