2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide

C15H15ClN2O4S2 — CID 99704751

IUPAC2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)C[C@H]1CCOC1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C15H15ClN2O4S2/c16-12-4-2-1-3-11(12)15-17-7-13(23-15)14(19)18-24(20,21)9-10-5-6-22-8-10/h1-4,7,10H,5-6,8-9H2,(H,18,19)/t10-/m0/s1
InChIKeyIZVUPOBQKSXHHM-JTQLQIEISA-N
MW386.88 g/mol
LogP2.56
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide (PubChem CID 99704751) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide
PubChem CID99704751
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC Name2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)C[C@H]1CCOC1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C15H15ClN2O4S2/c16-12-4-2-1-3-11(12)15-17-7-13(23-15)14(19)18-24(20,21)9-10-5-6-22-8-10/h1-4,7,10H,5-6,8-9H2,(H,18,19)/t10-/m0/s1
InChIKeyIZVUPOBQKSXHHM-JTQLQIEISA-N
XLogP2.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide (CID 99704751) is 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide is O=C(NS(=O)(=O)C[C@H]1CCOC1)c1cnc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IZVUPOBQKSXHHM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c16-12-4-2-1-3-11(12)15-17-7-13(23-15)14(19)18-24(20,21)9-10-5-6-22-8-10/h1-4,7,10H,5-6,8-9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[(3S)-oxolan-3-yl]methylsulfonyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99704751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).