2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide

C11H16BrNO4S2 — CID 82745499

IUPAC2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1cc(CO)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-7-9(3-4-17-7)13(2)19(15,16)10-5-8(6-14)18-11(10)12/h5,7,9,14H,3-4,6H2,1-2H3
InChIKeyNIXQIEAOQOVSPD-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.80
Rot. Bonds4

About 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide (PubChem CID 82745499) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
PubChem CID82745499
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1cc(CO)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-7-9(3-4-17-7)13(2)19(15,16)10-5-8(6-14)18-11(10)12/h5,7,9,14H,3-4,6H2,1-2H3
InChIKeyNIXQIEAOQOVSPD-UHFFFAOYSA-N
XLogP1.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82878733
5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745833
5-amino-3-bromo-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741220
5-amino-4-bromo-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 116530548
[5-bromo-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 104969086
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 82745144
5-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745504
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82744478
5-(chloromethyl)-3-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748457
4-(chloromethyl)-2-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 102704270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide (CID 82745499) is 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide is CC1OCCC1N(C)S(=O)(=O)c1cc(CO)sc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is NIXQIEAOQOVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-7-9(3-4-17-7)13(2)19(15,16)10-5-8(6-14)18-11(10)12/h5,7,9,14H,3-4,6H2,1-2H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 370.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 82745499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).