5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide

C11H16BrNO4S2 — CID 81130918

IUPAC5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(O)CCOCC2)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-8-6-9(18-10(8)12)19(15,16)13-7-11(14)2-4-17-5-3-11/h6,13-14H,2-5,7H2,1H3
InChIKeyVQVGRNPPVOQPJZ-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.64
Rot. Bonds4

About 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 81130918) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
PubChem CID81130918
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(O)CCOCC2)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-8-6-9(18-10(8)12)19(15,16)13-7-11(14)2-4-17-5-3-11/h6,13-14H,2-5,7H2,1H3
InChIKeyVQVGRNPPVOQPJZ-UHFFFAOYSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide (CID 81130918) is 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2(O)CCOCC2)sc1Br.
What is the InChIKey of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is VQVGRNPPVOQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-8-6-9(18-10(8)12)19(15,16)13-7-11(14)2-4-17-5-3-11/h6,13-14H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 370.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 81130918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).