N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide

C18H15ClN4O3S — CID 69205555

IUPACN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide
SMILESNC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN4O3S/c19-15-3-1-2-4-16(15)27(24,25)22-12-5-7-13(8-6-12)23-11-21-18-14(17(23)20)9-10-26-18/h1-11,17,22H,20H2
InChIKeyLWNIMYNXFGZAHV-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.87
Rot. Bonds4

About N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide

N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide (PubChem CID 69205555) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide
PubChem CID69205555
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide
SMILESNC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN4O3S/c19-15-3-1-2-4-16(15)27(24,25)22-12-5-7-13(8-6-12)23-11-21-18-14(17(23)20)9-10-26-18/h1-11,17,22H,20H2
InChIKeyLWNIMYNXFGZAHV-UHFFFAOYSA-N
XLogP3.87
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide (CID 69205555) is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide is NC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide?
The InChIKey is LWNIMYNXFGZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c19-15-3-1-2-4-16(15)27(24,25)22-12-5-7-13(8-6-12)23-11-21-18-14(17(23)20)9-10-26-18/h1-11,17,22H,20H2.
What are the key properties of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide?
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide has a molecular weight of 402.86 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 69205555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).