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

C20H27N5O4S2 — CID 19876802

IUPAC4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)Cc1nc2ccccc2n1C
InChIInChI=1S/C20H27N5O4S2/c1-23(15-20-21-18-7-5-6-8-19(18)25(20)3)13-14-24(2)31(28,29)17-11-9-16(10-12-17)22-30(4,26)27/h5-12,22H,13-15H2,1-4H3
InChIKeyLCRPPHKGBNDOPS-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.70
Rot. Bonds9

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

4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide (PubChem CID 19876802) has the molecular formula C20H27N5O4S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide
PubChem CID19876802
Molecular FormulaC20H27N5O4S2
Molecular Weight465.60 g/mol
Exact Mass465.15
IUPAC Name4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)Cc1nc2ccccc2n1C
InChIInChI=1S/C20H27N5O4S2/c1-23(15-20-21-18-7-5-6-8-19(18)25(20)3)13-14-24(2)31(28,29)17-11-9-16(10-12-17)22-30(4,26)27/h5-12,22H,13-15H2,1-4H3
InChIKeyLCRPPHKGBNDOPS-UHFFFAOYSA-N
XLogP1.70
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide (CID 19876802) is 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide is CN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)Cc1nc2ccccc2n1C.
What is the InChIKey of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide?
The InChIKey is LCRPPHKGBNDOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S2/c1-23(15-20-21-18-7-5-6-8-19(18)25(20)3)13-14-24(2)31(28,29)17-11-9-16(10-12-17)22-30(4,26)27/h5-12,22H,13-15H2,1-4H3.
What are the key properties of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide?
4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide has a molecular weight of 465.60 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 19876802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).