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

C19H23N5O4S2 — CID 15142706

IUPAC4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ncc2ccccc2n1
InChIInChI=1S/C19H23N5O4S2/c1-23(19-20-14-15-6-4-5-7-18(15)21-19)12-13-24(2)30(27,28)17-10-8-16(9-11-17)22-29(3,25)26/h4-11,14,22H,12-13H2,1-3H3
InChIKeyCUXPHTXWPCAKFL-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.76
Rot. Bonds8

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

4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 15142706) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID15142706
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC Name4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ncc2ccccc2n1
InChIInChI=1S/C19H23N5O4S2/c1-23(19-20-14-15-6-4-5-7-18(15)21-19)12-13-24(2)30(27,28)17-10-8-16(9-11-17)22-29(3,25)26/h4-11,14,22H,12-13H2,1-3H3
InChIKeyCUXPHTXWPCAKFL-UHFFFAOYSA-N
XLogP1.76
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide (CID 15142706) is 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide is CN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ncc2ccccc2n1.
What is the InChIKey of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is CUXPHTXWPCAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-23(19-20-14-15-6-4-5-7-18(15)21-19)12-13-24(2)30(27,28)17-10-8-16(9-11-17)22-29(3,25)26/h4-11,14,22H,12-13H2,1-3H3.
What are the key properties of 4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide?
4-(methanesulfonamido)-N-methyl-N-[2-[methyl(quinazolin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 449.56 g/mol, XLogP of 1.76, 8 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(quinazolin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 15142706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).