N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide

C10H14BrClN2O2S2 — CID 80578100

IUPACN-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H14BrClN2O2S2/c11-10-6(12)5-9(17-10)18(15,16)14-8-4-2-1-3-7(8)13/h5,7-8,14H,1-4,13H2
InChIKeyREVFFRVPOBXSFE-UHFFFAOYSA-N
MW373.73 g/mol
LogP2.71
Rot. Bonds3

About N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide

N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide (PubChem CID 80578100) has the molecular formula C10H14BrClN2O2S2 and a molecular weight of 373.73 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
PubChem CID80578100
Molecular FormulaC10H14BrClN2O2S2
Molecular Weight373.73 g/mol
Exact Mass371.94
IUPAC NameN-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H14BrClN2O2S2/c11-10-6(12)5-9(17-10)18(15,16)14-8-4-2-1-3-7(8)13/h5,7-8,14H,1-4,13H2
InChIKeyREVFFRVPOBXSFE-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide (CID 80578100) is N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide is NC1CCCCC1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The InChIKey is REVFFRVPOBXSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S2/c11-10-6(12)5-9(17-10)18(15,16)14-8-4-2-1-3-7(8)13/h5,7-8,14H,1-4,13H2.
What are the key properties of N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide has a molecular weight of 373.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80578100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).