4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine

C15H17ClN2O5S3 — CID 40870151

IUPAC4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine
SMILESCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@H]2CCCO2)s1
InChIInChI=1S/C15H17ClN2O5S3/c1-25(19,20)15-18-14(13(24-15)17-9-11-3-2-8-23-11)26(21,22)12-6-4-10(16)5-7-12/h4-7,11,17H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyVOGKKYBABIGJLC-LLVKDONJSA-N
MW436.96 g/mol
LogP2.62
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine (PubChem CID 40870151) has the molecular formula C15H17ClN2O5S3 and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine
PubChem CID40870151
Molecular FormulaC15H17ClN2O5S3
Molecular Weight436.96 g/mol
Exact Mass436.00
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine
SMILESCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@H]2CCCO2)s1
InChIInChI=1S/C15H17ClN2O5S3/c1-25(19,20)15-18-14(13(24-15)17-9-11-3-2-8-23-11)26(21,22)12-6-4-10(16)5-7-12/h4-7,11,17H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyVOGKKYBABIGJLC-LLVKDONJSA-N
XLogP2.62
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine (CID 40870151) is 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine is CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@H]2CCCO2)s1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine?
The InChIKey is VOGKKYBABIGJLC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN2O5S3/c1-25(19,20)15-18-14(13(24-15)17-9-11-3-2-8-23-11)26(21,22)12-6-4-10(16)5-7-12/h4-7,11,17H,2-3,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine has a molecular weight of 436.96 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 40870151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).