N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide

C7H10BrClN2O2S2 — CID 80577776

IUPACN-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESCC(CN)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H10BrClN2O2S2/c1-4(3-10)11-15(12,13)6-2-5(9)7(8)14-6/h2,4,11H,3,10H2,1H3
InChIKeyBPOVCSFWYQIXJF-UHFFFAOYSA-N
MW333.66 g/mol
LogP1.79
Rot. Bonds4

About N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide

N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide (PubChem CID 80577776) has the molecular formula C7H10BrClN2O2S2 and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
PubChem CID80577776
Molecular FormulaC7H10BrClN2O2S2
Molecular Weight333.66 g/mol
Exact Mass331.91
IUPAC NameN-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESCC(CN)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H10BrClN2O2S2/c1-4(3-10)11-15(12,13)6-2-5(9)7(8)14-6/h2,4,11H,3,10H2,1H3
InChIKeyBPOVCSFWYQIXJF-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide (CID 80577776) is N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide is CC(CN)NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The InChIKey is BPOVCSFWYQIXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrClN2O2S2/c1-4(3-10)11-15(12,13)6-2-5(9)7(8)14-6/h2,4,11H,3,10H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide?
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide has a molecular weight of 333.66 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80577776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).