3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide

C8H10BrNO2S2 — CID 62408848

IUPAC3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
SMILESCC1CC1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H10BrNO2S2/c1-5-4-7(5)10-14(11,12)8-6(9)2-3-13-8/h2-3,5,7,10H,4H2,1H3
InChIKeyQIFLCXRDEUKIIR-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.20
Rot. Bonds3

About 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide

3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide (PubChem CID 62408848) has the molecular formula C8H10BrNO2S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
PubChem CID62408848
Molecular FormulaC8H10BrNO2S2
Molecular Weight296.21 g/mol
Exact Mass294.93
IUPAC Name3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
SMILESCC1CC1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H10BrNO2S2/c1-5-4-7(5)10-14(11,12)8-6(9)2-3-13-8/h2-3,5,7,10H,4H2,1H3
InChIKeyQIFLCXRDEUKIIR-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 103835912
4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216596
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 103931361
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide (CID 62408848) is 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide is CC1CC1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide?
The InChIKey is QIFLCXRDEUKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S2/c1-5-4-7(5)10-14(11,12)8-6(9)2-3-13-8/h2-3,5,7,10H,4H2,1H3.
What are the key properties of 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide?
3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide has a molecular weight of 296.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 62408848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).