5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide

C11H13BrN2O2S2 — CID 61392309

IUPAC5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
SMILESCC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O2S2/c1-11(2,7-13)14(8-3-4-8)18(15,16)10-6-5-9(12)17-10/h5-6,8H,3-4H2,1-2H3
InChIKeyRFROQNKNTNWXDB-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.97
Rot. Bonds4

About 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide

5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide (PubChem CID 61392309) has the molecular formula C11H13BrN2O2S2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
PubChem CID61392309
Molecular FormulaC11H13BrN2O2S2
Molecular Weight349.28 g/mol
Exact Mass347.96
IUPAC Name5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
SMILESCC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O2S2/c1-11(2,7-13)14(8-3-4-8)18(15,16)10-6-5-9(12)17-10/h5-6,8H,3-4H2,1-2H3
InChIKeyRFROQNKNTNWXDB-UHFFFAOYSA-N
XLogP2.97
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide (CID 61392309) is 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide is CC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide?
The InChIKey is RFROQNKNTNWXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S2/c1-11(2,7-13)14(8-3-4-8)18(15,16)10-6-5-9(12)17-10/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide?
5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide has a molecular weight of 349.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide is sourced from PubChem (CID 61392309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).