N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide

C15H15BrN2O2S — CID 61288026

IUPACN-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide
SMILESNc1cccc(NC(=O)CCS(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2O2S/c16-13-6-1-2-7-14(13)21(20)9-8-15(19)18-12-5-3-4-11(17)10-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyQHFIVUDNEAUKMK-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.17
Rot. Bonds5

About N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide

N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide (PubChem CID 61288026) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide
PubChem CID61288026
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide
SMILESNc1cccc(NC(=O)CCS(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2O2S/c16-13-6-1-2-7-14(13)21(20)9-8-15(19)18-12-5-3-4-11(17)10-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyQHFIVUDNEAUKMK-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 61303387
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N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
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N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-bromophenyl)acetamide
CID 81184638
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
N-(3-aminophenyl)-2-(2-hydroxyphenyl)acetamide
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N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
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4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
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CID 16778596

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide (CID 61288026) is N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide is Nc1cccc(NC(=O)CCS(=O)c2ccccc2Br)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide?
The InChIKey is QHFIVUDNEAUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-13-6-1-2-7-14(13)21(20)9-8-15(19)18-12-5-3-4-11(17)10-12/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide?
N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide has a molecular weight of 367.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide is sourced from PubChem (CID 61288026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).