4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide

C18H17ClN2O4S — CID 139808271

IUPAC4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCC(C)(O)c1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H17ClN2O4S/c1-18(2,22)17-21-15(11-6-8-14(9-7-11)26(20,23)24)16(25-17)12-4-3-5-13(19)10-12/h3-10,22H,1-2H3,(H2,20,23,24)
InChIKeyANXXZSJCFYGQFU-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.54
Rot. Bonds4

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

4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 139808271) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID139808271
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCC(C)(O)c1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H17ClN2O4S/c1-18(2,22)17-21-15(11-6-8-14(9-7-11)26(20,23)24)16(25-17)12-4-3-5-13(19)10-12/h3-10,22H,1-2H3,(H2,20,23,24)
InChIKeyANXXZSJCFYGQFU-UHFFFAOYSA-N
XLogP3.54
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 139808290
3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 139808300
4-(2-methoxy-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 18701519
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
4-(2-chloro-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide;2-[[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]oxy]benzoic acid
CID 67771829
2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 11949254
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11947914
4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67621648
2-bromo-2-[5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 54020912

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 139808271) is 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide is CC(C)(O)c1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2cccc(Cl)c2)o1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is ANXXZSJCFYGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-18(2,22)17-21-15(11-6-8-14(9-7-11)26(20,23)24)16(25-17)12-4-3-5-13(19)10-12/h3-10,22H,1-2H3,(H2,20,23,24).
What are the key properties of 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide?
4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 392.86 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 139808271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).