N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide

C13H11Br2NO3S2 — CID 4075609

IUPACN-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NO3S2/c14-9-1-3-10(4-2-9)16-12(17)7-8-21(18,19)13-6-5-11(15)20-13/h1-6H,7-8H2,(H,16,17)
InChIKeyGYOQQROEKUZLMN-UHFFFAOYSA-N
MW453.18 g/mol
LogP4.08
Rot. Bonds5

About N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide

N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide (PubChem CID 4075609) has the molecular formula C13H11Br2NO3S2 and a molecular weight of 453.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
PubChem CID4075609
Molecular FormulaC13H11Br2NO3S2
Molecular Weight453.18 g/mol
Exact Mass450.85
IUPAC NameN-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NO3S2/c14-9-1-3-10(4-2-9)16-12(17)7-8-21(18,19)13-6-5-11(15)20-13/h1-6H,7-8H2,(H,16,17)
InChIKeyGYOQQROEKUZLMN-UHFFFAOYSA-N
XLogP4.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide
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N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
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3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide
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3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
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N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
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2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15996234
N-(4-bromophenyl)-3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]propanamide
CID 55977690

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide (CID 4075609) is N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
The InChIKey is GYOQQROEKUZLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO3S2/c14-9-1-3-10(4-2-9)16-12(17)7-8-21(18,19)13-6-5-11(15)20-13/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide has a molecular weight of 453.18 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide is sourced from PubChem (CID 4075609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).