N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide

C19H19N7O2S — CID 21015026

IUPACN,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide
SMILESCc1nc(Nc2nc(-c3ccccc3S(=O)(=O)N(C)C)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H19N7O2S/c1-12-20-19(25-24-12)23-17-13-8-4-6-10-15(13)21-18(22-17)14-9-5-7-11-16(14)29(27,28)26(2)3/h4-11H,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyUYIDMNOWMIOBMQ-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.72
Rot. Bonds5

About N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide

N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide (PubChem CID 21015026) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide
PubChem CID21015026
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC NameN,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide
SMILESCc1nc(Nc2nc(-c3ccccc3S(=O)(=O)N(C)C)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H19N7O2S/c1-12-20-19(25-24-12)23-17-13-8-4-6-10-15(13)21-18(22-17)14-9-5-7-11-16(14)29(27,28)26(2)3/h4-11H,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyUYIDMNOWMIOBMQ-UHFFFAOYSA-N
XLogP2.72
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide (CID 21015026) is N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide is Cc1nc(Nc2nc(-c3ccccc3S(=O)(=O)N(C)C)nc3ccccc23)n[nH]1.
What is the InChIKey of N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide?
The InChIKey is UYIDMNOWMIOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-12-20-19(25-24-12)23-17-13-8-4-6-10-15(13)21-18(22-17)14-9-5-7-11-16(14)29(27,28)26(2)3/h4-11H,1-3H3,(H2,20,21,22,23,24,25).
What are the key properties of N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide?
N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide is sourced from PubChem (CID 21015026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).