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

C23H23N3O5S — CID 22103640

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2C(C)(C)O)c1C
InChIInChI=1S/C23H23N3O5S/c1-14-15(2)25-31-21(14)26-32(28,29)20-8-6-5-7-18(20)17-10-9-16(22-24-11-12-30-22)13-19(17)23(3,4)27/h5-13,26-27H,1-4H3
InChIKeyDLNXHVRTZQMILV-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.64
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 22103640) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID22103640
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2C(C)(C)O)c1C
InChIInChI=1S/C23H23N3O5S/c1-14-15(2)25-31-21(14)26-32(28,29)20-8-6-5-7-18(20)17-10-9-16(22-24-11-12-30-22)13-19(17)23(3,4)27/h5-13,26-27H,1-4H3
InChIKeyDLNXHVRTZQMILV-UHFFFAOYSA-N
XLogP4.64
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 22103640) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2C(C)(C)O)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is DLNXHVRTZQMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-14-15(2)25-31-21(14)26-32(28,29)20-8-6-5-7-18(20)17-10-9-16(22-24-11-12-30-22)13-19(17)23(3,4)27/h5-13,26-27H,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22103640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).