N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide

C19H19ClN4O2S — CID 42322477

IUPACN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1)c1ccccc1
InChIInChI=1S/C19H19ClN4O2S/c20-14-8-9-17-16(12-14)19(24-10-4-5-11-24)23-18(22-17)13-21-27(25,26)15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13H2
InChIKeyIWNLQWJMKHELPP-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.36
Rot. Bonds5

About N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide

N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide (PubChem CID 42322477) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide
PubChem CID42322477
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1)c1ccccc1
InChIInChI=1S/C19H19ClN4O2S/c20-14-8-9-17-16(12-14)19(24-10-4-5-11-24)23-18(22-17)13-21-27(25,26)15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13H2
InChIKeyIWNLQWJMKHELPP-UHFFFAOYSA-N
XLogP3.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide (CID 42322477) is N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1)c1ccccc1.
What is the InChIKey of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide?
The InChIKey is IWNLQWJMKHELPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-14-8-9-17-16(12-14)19(24-10-4-5-11-24)23-18(22-17)13-21-27(25,26)15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13H2.
What are the key properties of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide?
N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide has a molecular weight of 402.91 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 42322477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).