N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C24H21N5O4S — CID 11730445

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2Cn2cccn2)c1C
InChIInChI=1S/C24H21N5O4S/c1-16-17(2)27-33-23(16)28-34(30,31)22-7-4-3-6-21(22)20-9-8-18(24-25-11-13-32-24)14-19(20)15-29-12-5-10-26-29/h3-14,28H,15H2,1-2H3
InChIKeyZJLHLNFPEQWJRL-UHFFFAOYSA-N
MW475.53 g/mol
LogP4.66
Rot. Bonds7

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 11730445) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID11730445
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2Cn2cccn2)c1C
InChIInChI=1S/C24H21N5O4S/c1-16-17(2)27-33-23(16)28-34(30,31)22-7-4-3-6-21(22)20-9-8-18(24-25-11-13-32-24)14-19(20)15-29-12-5-10-26-29/h3-14,28H,15H2,1-2H3
InChIKeyZJLHLNFPEQWJRL-UHFFFAOYSA-N
XLogP4.66
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 11730445) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2Cn2cccn2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is ZJLHLNFPEQWJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-16-17(2)27-33-23(16)28-34(30,31)22-7-4-3-6-21(22)20-9-8-18(24-25-11-13-32-24)14-19(20)15-29-12-5-10-26-29/h3-14,28H,15H2,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 475.53 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 11730445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).