N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C19H23ClN6O2S — CID 26328344

IUPACN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H23ClN6O2S/c1-12-18(13(2)25(3)24-12)29(27,28)21-11-17-22-16-7-6-14(20)10-15(16)19(23-17)26-8-4-5-9-26/h6-7,10,21H,4-5,8-9,11H2,1-3H3
InChIKeyKKPFCWCPBAEUOG-UHFFFAOYSA-N
MW434.95 g/mol
LogP2.71
Rot. Bonds5

About N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 26328344) has the molecular formula C19H23ClN6O2S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID26328344
Molecular FormulaC19H23ClN6O2S
Molecular Weight434.95 g/mol
Exact Mass434.13
IUPAC NameN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H23ClN6O2S/c1-12-18(13(2)25(3)24-12)29(27,28)21-11-17-22-16-7-6-14(20)10-15(16)19(23-17)26-8-4-5-9-26/h6-7,10,21H,4-5,8-9,11H2,1-3H3
InChIKeyKKPFCWCPBAEUOG-UHFFFAOYSA-N
XLogP2.71
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide 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 N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 26328344) is N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KKPFCWCPBAEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O2S/c1-12-18(13(2)25(3)24-12)29(27,28)21-11-17-22-16-7-6-14(20)10-15(16)19(23-17)26-8-4-5-9-26/h6-7,10,21H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 434.95 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 26328344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).