2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide

C12H15BrN2O3S — CID 82834759

IUPAC2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C12H15BrN2O3S/c1-7(12(16)15-9-3-4-9)19(17,18)11-5-2-8(14)6-10(11)13/h2,5-7,9H,3-4,14H2,1H3,(H,15,16)
InChIKeyHRYOYMZRCIWSAP-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.47
Rot. Bonds4

About 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide

2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide (PubChem CID 82834759) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
PubChem CID82834759
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C12H15BrN2O3S/c1-7(12(16)15-9-3-4-9)19(17,18)11-5-2-8(14)6-10(11)13/h2,5-7,9H,3-4,14H2,1H3,(H,15,16)
InChIKeyHRYOYMZRCIWSAP-UHFFFAOYSA-N
XLogP1.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
CID 82839375
4-bromo-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43141022
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43117022
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81187428
1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835153
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
CID 81181976
3-(4-amino-2-bromophenyl)sulfanyl-N-cyclopropylpropanamide
CID 82841438
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide (CID 82834759) is 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide?
The InChIKey is HRYOYMZRCIWSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-7(12(16)15-9-3-4-9)19(17,18)11-5-2-8(14)6-10(11)13/h2,5-7,9H,3-4,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide?
2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide has a molecular weight of 347.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide is sourced from PubChem (CID 82834759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).