N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide

C15H15BrN2O2S — CID 81329238

IUPACN-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
SMILESNCc1ccc(NC(=O)CS(=O)c2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c16-13-3-1-2-4-14(13)21(20)10-15(19)18-12-7-5-11(9-17)6-8-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyXHHYVXWJQNRUFT-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.65
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide

N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide (PubChem CID 81329238) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
PubChem CID81329238
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
SMILESNCc1ccc(NC(=O)CS(=O)c2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c16-13-3-1-2-4-14(13)21(20)10-15(19)18-12-7-5-11(9-17)6-8-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyXHHYVXWJQNRUFT-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
CID 81328118
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
CID 81329339
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005
N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide
CID 61288026
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 110483778
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
CID 61289994
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
N-(3-aminopropyl)-2-(2-bromophenyl)sulfinyl-N-methylacetamide
CID 81329256

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide (CID 81329238) is N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide is NCc1ccc(NC(=O)CS(=O)c2ccccc2Br)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide?
The InChIKey is XHHYVXWJQNRUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-13-3-1-2-4-14(13)21(20)10-15(19)18-12-7-5-11(9-17)6-8-12/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide?
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide has a molecular weight of 367.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide is sourced from PubChem (CID 81329238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).