N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H16ClN3O3S2 — CID 71795670

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C16H16ClN3O3S2/c1-9-14(24-16(19-9)12-6-4-5-7-13(12)17)8-18-25(21,22)15-10(2)20-23-11(15)3/h4-7,18H,8H2,1-3H3
InChIKeyQLPBORCGMGNYBK-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.86
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 71795670) has the molecular formula C16H16ClN3O3S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID71795670
Molecular FormulaC16H16ClN3O3S2
Molecular Weight397.91 g/mol
Exact Mass397.03
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C16H16ClN3O3S2/c1-9-14(24-16(19-9)12-6-4-5-7-13(12)17)8-18-25(21,22)15-10(2)20-23-11(15)3/h4-7,18H,8H2,1-3H3
InChIKeyQLPBORCGMGNYBK-UHFFFAOYSA-N
XLogP3.86
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 71795670) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QLPBORCGMGNYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S2/c1-9-14(24-16(19-9)12-6-4-5-7-13(12)17)8-18-25(21,22)15-10(2)20-23-11(15)3/h4-7,18H,8H2,1-3H3.
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 397.91 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71795670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).