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

C8H9BrN2O2S2 — CID 61126498

IUPAC5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H9BrN2O2S2/c1-8(2,5-10)11-15(12,13)7-4-3-6(9)14-7/h3-4,11H,1-2H3
InChIKeyORGNUKDIDMEXBX-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.09
Rot. Bonds3

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

5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide (PubChem CID 61126498) has the molecular formula C8H9BrN2O2S2 and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
PubChem CID61126498
Molecular FormulaC8H9BrN2O2S2
Molecular Weight309.21 g/mol
Exact Mass307.93
IUPAC Name5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H9BrN2O2S2/c1-8(2,5-10)11-15(12,13)7-4-3-6(9)14-7/h3-4,11H,1-2H3
InChIKeyORGNUKDIDMEXBX-UHFFFAOYSA-N
XLogP2.09
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 61128073
5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
CID 22500765
5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
CID 115754090
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromothiophene-2-sulfonohydrazide
CID 23464136
5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
CID 61392309
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide (CID 61126498) is 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide is CC(C)(C#N)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is ORGNUKDIDMEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S2/c1-8(2,5-10)11-15(12,13)7-4-3-6(9)14-7/h3-4,11H,1-2H3.
What are the key properties of 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 309.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61126498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).