N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide

C14H14N2O4S2 — CID 34145619

IUPACN-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H14N2O4S2/c1-9(16-22(18,19)14-3-2-6-21-14)10-4-5-12-11(7-10)15-13(17)8-20-12/h2-7,9,16H,8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyUMWHCQGJSWJYRC-SECBINFHSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds4

About N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide

N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 34145619) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
PubChem CID34145619
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H14N2O4S2/c1-9(16-22(18,19)14-3-2-6-21-14)10-4-5-12-11(7-10)15-13(17)8-20-12/h2-7,9,16H,8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyUMWHCQGJSWJYRC-SECBINFHSA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide (CID 34145619) is N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide is C[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is UMWHCQGJSWJYRC-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-9(16-22(18,19)14-3-2-6-21-14)10-4-5-12-11(7-10)15-13(17)8-20-12/h2-7,9,16H,8H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide?
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 34145619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).