N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide

C10H12BrClN2O3S2 — CID 113402591

IUPACN-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1
InChIInChI=1S/C10H12BrClN2O3S2/c1-6(15)13-7-2-3-14(5-7)19(16,17)9-4-8(12)10(11)18-9/h4,7H,2-3,5H2,1H3,(H,13,15)
InChIKeyQABZPOLOGXXZJF-UHFFFAOYSA-N
MW387.71 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide

N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide (PubChem CID 113402591) has the molecular formula C10H12BrClN2O3S2 and a molecular weight of 387.71 g/mol. Its IUPAC name is N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
PubChem CID113402591
Molecular FormulaC10H12BrClN2O3S2
Molecular Weight387.71 g/mol
Exact Mass385.92
IUPAC NameN-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1
InChIInChI=1S/C10H12BrClN2O3S2/c1-6(15)13-7-2-3-14(5-7)19(16,17)9-4-8(12)10(11)18-9/h4,7H,2-3,5H2,1H3,(H,13,15)
InChIKeyQABZPOLOGXXZJF-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetic acid
CID 80577643
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 80577698
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
CID 80578318
5-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917735
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-tert-butylazepane
CID 80578871
4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine
CID 113498483
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-isocyanatopiperidine
CID 80578054
N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 107327407
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 106468175
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 80577652
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide (CID 113402591) is N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1.
What is the InChIKey of N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is QABZPOLOGXXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S2/c1-6(15)13-7-2-3-14(5-7)19(16,17)9-4-8(12)10(11)18-9/h4,7H,2-3,5H2,1H3,(H,13,15).
What are the key properties of N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide?
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 387.71 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).