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

C10H13Br2NO2S2 — CID 114297371

IUPAC3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCC1Br)c1sccc1Br
InChIInChI=1S/C10H13Br2NO2S2/c11-7-3-1-2-4-9(7)13-17(14,15)10-8(12)5-6-16-10/h5-7,9,13H,1-4H2
InChIKeyUPSGWWQYCSICMC-UHFFFAOYSA-N
MW403.16 g/mol
LogP3.49
Rot. Bonds3

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

3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide (PubChem CID 114297371) has the molecular formula C10H13Br2NO2S2 and a molecular weight of 403.16 g/mol. Its IUPAC name is 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
PubChem CID114297371
Molecular FormulaC10H13Br2NO2S2
Molecular Weight403.16 g/mol
Exact Mass400.88
IUPAC Name3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCC1Br)c1sccc1Br
InChIInChI=1S/C10H13Br2NO2S2/c11-7-3-1-2-4-9(7)13-17(14,15)10-8(12)5-6-16-10/h5-7,9,13H,1-4H2
InChIKeyUPSGWWQYCSICMC-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 103835912
3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
CID 62408848
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
CID 115309366
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide (CID 114297371) is 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide is O=S(=O)(NC1CCCCC1Br)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide?
The InChIKey is UPSGWWQYCSICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S2/c11-7-3-1-2-4-9(7)13-17(14,15)10-8(12)5-6-16-10/h5-7,9,13H,1-4H2.
What are the key properties of 3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide?
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide has a molecular weight of 403.16 g/mol, XLogP of 3.49, 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-bromocyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114297371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).