N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine

C24H20ClN9O4S — CID 21041376

IUPACN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H20ClN9O4S/c1-37-18-9-5-6-10-19(18)38-20-21(25)28-22(16-11-12-26-17(13-16)23-30-33-34-31-23)29-24(20)32-39(35,36)27-14-15-7-3-2-4-8-15/h2-13,27H,14H2,1H3,(H,28,29,32)(H,30,31,33,34)
InChIKeyDCUYUECKCVWLCB-UHFFFAOYSA-N
MW566.00 g/mol
LogP3.62
Rot. Bonds10

About N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine

N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine (PubChem CID 21041376) has the molecular formula C24H20ClN9O4S and a molecular weight of 566.00 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine
PubChem CID21041376
Molecular FormulaC24H20ClN9O4S
Molecular Weight566.00 g/mol
Exact Mass565.10
IUPAC NameN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H20ClN9O4S/c1-37-18-9-5-6-10-19(18)38-20-21(25)28-22(16-11-12-26-17(13-16)23-30-33-34-31-23)29-24(20)32-39(35,36)27-14-15-7-3-2-4-8-15/h2-13,27H,14H2,1H3,(H,28,29,32)(H,30,31,33,34)
InChIKeyDCUYUECKCVWLCB-UHFFFAOYSA-N
XLogP3.62
TPSA169.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.00
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine (CID 21041376) is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine?
The InChIKey is DCUYUECKCVWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN9O4S/c1-37-18-9-5-6-10-19(18)38-20-21(25)28-22(16-11-12-26-17(13-16)23-30-33-34-31-23)29-24(20)32-39(35,36)27-14-15-7-3-2-4-8-15/h2-13,27H,14H2,1H3,(H,28,29,32)(H,30,31,33,34).
What are the key properties of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine?
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine has a molecular weight of 566.00 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 21041376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).