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

C15H15BrN2O2S — CID 81328118

IUPACN-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
SMILESNCc1ccc(NC(=O)CS(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrN2O2S/c16-12-3-7-14(8-4-12)21(20)10-15(19)18-13-5-1-11(9-17)2-6-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyWKNJMMYIVKPPKF-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.65
Rot. Bonds5

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

N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide (PubChem CID 81328118) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
PubChem CID81328118
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
SMILESNCc1ccc(NC(=O)CS(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrN2O2S/c16-12-3-7-14(8-4-12)21(20)10-15(19)18-13-5-1-11(9-17)2-6-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyWKNJMMYIVKPPKF-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

2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40525367
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
CID 81329339
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
2-(4-bromophenyl)sulfinylacetamide
CID 130650723
3-[2-(4-bromoanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883639
N'-(4-bromophenyl)propanediamide
CID 15154636
N-(4-bromophenyl)-3-oxopropanamide
CID 175023149
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide (CID 81328118) is N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide is NCc1ccc(NC(=O)CS(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide?
The InChIKey is WKNJMMYIVKPPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-12-3-7-14(8-4-12)21(20)10-15(19)18-13-5-1-11(9-17)2-6-13/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide?
N-[4-(aminomethyl)phenyl]-2-(4-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-(4-bromophenyl)sulfinylacetamide is sourced from PubChem (CID 81328118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).