N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide

C20H22N2O5S2 — CID 10598958

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)C(C)C)cc2)c1C
InChIInChI=1S/C20H22N2O5S2/c1-13(2)28(23,24)17-11-9-16(10-12-17)18-7-5-6-8-19(18)29(25,26)22-20-14(3)15(4)21-27-20/h5-13,22H,1-4H3
InChIKeyBACQXHYPRKBLQD-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.94
Rot. Bonds6

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 10598958) has the molecular formula C20H22N2O5S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide
PubChem CID10598958
Molecular FormulaC20H22N2O5S2
Molecular Weight434.54 g/mol
Exact Mass434.10
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)C(C)C)cc2)c1C
InChIInChI=1S/C20H22N2O5S2/c1-13(2)28(23,24)17-11-9-16(10-12-17)18-7-5-6-8-19(18)29(25,26)22-20-14(3)15(4)21-27-20/h5-13,22H,1-4H3
InChIKeyBACQXHYPRKBLQD-UHFFFAOYSA-N
XLogP3.94
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide (CID 10598958) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)C(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is BACQXHYPRKBLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S2/c1-13(2)28(23,24)17-11-9-16(10-12-17)18-7-5-6-8-19(18)29(25,26)22-20-14(3)15(4)21-27-20/h5-13,22H,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 434.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 10598958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).