N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide

C9H12Br2N2O2S2 — CID 63251942

IUPACN-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide
SMILESNC1CCCC1NS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O2S2/c10-8-4-7(9(11)16-8)17(14,15)13-6-3-1-2-5(6)12/h4-6,13H,1-3,12H2
InChIKeyUYBWXAFQFJZFNC-UHFFFAOYSA-N
MW404.15 g/mol
LogP2.43
Rot. Bonds3

About N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide

N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide (PubChem CID 63251942) has the molecular formula C9H12Br2N2O2S2 and a molecular weight of 404.15 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide
PubChem CID63251942
Molecular FormulaC9H12Br2N2O2S2
Molecular Weight404.15 g/mol
Exact Mass401.87
IUPAC NameN-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide
SMILESNC1CCCC1NS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O2S2/c10-8-4-7(9(11)16-8)17(14,15)13-6-3-1-2-5(6)12/h4-6,13H,1-3,12H2
InChIKeyUYBWXAFQFJZFNC-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578100
N-(2-amino-4-ethoxycyclobutyl)-2,5-dibromothiophene-3-sulfonamide
CID 66196281
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
3-[(2-aminocyclohexyl)sulfamoyl]-4-bromobenzoic acid
CID 61404616
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide?
The IUPAC name of N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide (CID 63251942) is N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide?
The canonical SMILES for N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide is NC1CCCC1NS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide?
The InChIKey is UYBWXAFQFJZFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O2S2/c10-8-4-7(9(11)16-8)17(14,15)13-6-3-1-2-5(6)12/h4-6,13H,1-3,12H2.
What are the key properties of N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide?
N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide has a molecular weight of 404.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide is sourced from PubChem (CID 63251942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).