4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide

C14H11ClN2O3S2 — CID 15871000

IUPAC4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(Cl)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C14H11ClN2O3S2/c1-8-17-13(11-6-7-12(15)21-11)14(20-8)9-2-4-10(5-3-9)22(16,18)19/h2-7H,1H3,(H2,16,18,19)
InChIKeyRGANEMJXHWAHQI-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.68
Rot. Bonds3

About 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide

4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 15871000) has the molecular formula C14H11ClN2O3S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID15871000
Molecular FormulaC14H11ClN2O3S2
Molecular Weight354.84 g/mol
Exact Mass353.99
IUPAC Name4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(Cl)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C14H11ClN2O3S2/c1-8-17-13(11-6-7-12(15)21-11)14(20-8)9-2-4-10(5-3-9)22(16,18)19/h2-7H,1H3,(H2,16,18,19)
InChIKeyRGANEMJXHWAHQI-UHFFFAOYSA-N
XLogP3.68
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide (CID 15871000) is 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide is Cc1nc(-c2ccc(Cl)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is RGANEMJXHWAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S2/c1-8-17-13(11-6-7-12(15)21-11)14(20-8)9-2-4-10(5-3-9)22(16,18)19/h2-7H,1H3,(H2,16,18,19).
What are the key properties of 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 15871000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).