4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

C11H11ClN2O3S — CID 110671268

IUPAC4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O3S/c1-8-11(17-7-13-8)6-14-18(15,16)10-4-2-9(12)3-5-10/h2-5,7,14H,6H2,1H3
InChIKeyQIUIKXRHEYGVPQ-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.11
Rot. Bonds4

About 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110671268) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110671268
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O3S/c1-8-11(17-7-13-8)6-14-18(15,16)10-4-2-9(12)3-5-10/h2-5,7,14H,6H2,1H3
InChIKeyQIUIKXRHEYGVPQ-UHFFFAOYSA-N
XLogP2.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 110671268) is 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1ncoc1CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is QIUIKXRHEYGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-8-11(17-7-13-8)6-14-18(15,16)10-4-2-9(12)3-5-10/h2-5,7,14H,6H2,1H3.
What are the key properties of 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110671268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).