2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide

C16H17BrN2O3S — CID 155967375

IUPAC2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide
SMILESNCc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c17-15-7-5-14(6-8-15)11-23(21,22)19-16(20)9-12-1-3-13(10-18)4-2-12/h1-8H,9-11,18H2,(H,19,20)
InChIKeyGYARJXCUXSVUKF-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.10
Rot. Bonds6

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

2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide (PubChem CID 155967375) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide
PubChem CID155967375
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide
SMILESNCc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c17-15-7-5-14(6-8-15)11-23(21,22)19-16(20)9-12-1-3-13(10-18)4-2-12/h1-8H,9-11,18H2,(H,19,20)
InChIKeyGYARJXCUXSVUKF-UHFFFAOYSA-N
XLogP2.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
CID 43310560
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
2-[4-[(4-bromophenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345555
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
sodium;(4-bromophenyl)methanesulfonic acid;hydride
CID 173334336
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
[4-[(4-bromophenyl)methyl]phenyl]methanamine
CID 83744886
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 47108955
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide (CID 155967375) is 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide is NCc1ccc(CC(=O)NS(=O)(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide?
The InChIKey is GYARJXCUXSVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c17-15-7-5-14(6-8-15)11-23(21,22)19-16(20)9-12-1-3-13(10-18)4-2-12/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide has a molecular weight of 397.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 155967375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).