N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C16H13ClN2O5S — CID 108783100

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCOc4ccc(Cl)cc43)cc2o1
InChIInChI=1S/C16H13ClN2O5S/c17-9-1-4-14-11(7-9)12(5-6-23-14)19-25(21,22)10-2-3-13-15(8-10)24-16(20)18-13/h1-4,7-8,12,19H,5-6H2,(H,18,20)
InChIKeyLJIVWIAXMRICFE-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.58
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108783100) has the molecular formula C16H13ClN2O5S and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108783100
Molecular FormulaC16H13ClN2O5S
Molecular Weight380.81 g/mol
Exact Mass380.02
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCOc4ccc(Cl)cc43)cc2o1
InChIInChI=1S/C16H13ClN2O5S/c17-9-1-4-14-11(7-9)12(5-6-23-14)19-25(21,22)10-2-3-13-15(8-10)24-16(20)18-13/h1-4,7-8,12,19H,5-6H2,(H,18,20)
InChIKeyLJIVWIAXMRICFE-UHFFFAOYSA-N
XLogP2.58
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 108783100) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NC3CCOc4ccc(Cl)cc43)cc2o1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is LJIVWIAXMRICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5S/c17-9-1-4-14-11(7-9)12(5-6-23-14)19-25(21,22)10-2-3-13-15(8-10)24-16(20)18-13/h1-4,7-8,12,19H,5-6H2,(H,18,20).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 380.81 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108783100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).