5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide

C12H16BrNO3S2 — CID 103864173

IUPAC5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOC2C2CC2)sc1Br
InChIInChI=1S/C12H16BrNO3S2/c1-7-6-10(18-12(7)13)19(15,16)14-9-4-5-17-11(9)8-2-3-8/h6,8-9,11,14H,2-5H2,1H3
InChIKeyBHWVJYFCKYWQMK-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.66
Rot. Bonds4

About 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 103864173) has the molecular formula C12H16BrNO3S2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
PubChem CID103864173
Molecular FormulaC12H16BrNO3S2
Molecular Weight366.30 g/mol
Exact Mass364.98
IUPAC Name5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOC2C2CC2)sc1Br
InChIInChI=1S/C12H16BrNO3S2/c1-7-6-10(18-12(7)13)19(15,16)14-9-4-5-17-11(9)8-2-3-8/h6,8-9,11,14H,2-5H2,1H3
InChIKeyBHWVJYFCKYWQMK-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 106092484
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
CID 113347709
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide (CID 103864173) is 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCOC2C2CC2)sc1Br.
What is the InChIKey of 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is BHWVJYFCKYWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S2/c1-7-6-10(18-12(7)13)19(15,16)14-9-4-5-17-11(9)8-2-3-8/h6,8-9,11,14H,2-5H2,1H3.
What are the key properties of 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 366.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103864173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).