2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C16H19ClN2O3S — CID 11089551

IUPAC2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(Cl)c2)o1
InChIInChI=1S/C16H19ClN2O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6H2,1H3,(H2,18,20,21)
InChIKeyWOTNDJZBWMTQPH-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 11089551) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID11089551
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(Cl)c2)o1
InChIInChI=1S/C16H19ClN2O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6H2,1H3,(H2,18,20,21)
InChIKeyWOTNDJZBWMTQPH-UHFFFAOYSA-N
XLogP4.00
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 11089551) is 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(Cl)c2)o1.
What is the InChIKey of 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is WOTNDJZBWMTQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6H2,1H3,(H2,18,20,21).
What are the key properties of 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 11089551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).