2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide

C16H17BrN2O3S — CID 45371859

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-2-19(23(21,22)13-8-4-3-5-9-13)12-16(20)18-15-11-7-6-10-14(15)17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyFUPHPWZJKYNNHA-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.10
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide

2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide (PubChem CID 45371859) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
PubChem CID45371859
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-2-19(23(21,22)13-8-4-3-5-9-13)12-16(20)18-15-11-7-6-10-14(15)17/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyFUPHPWZJKYNNHA-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 124544246
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
CID 1365040
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 45372488
2-[benzenesulfonyl(ethyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2231731
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide (CID 45371859) is 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide is CCN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide?
The InChIKey is FUPHPWZJKYNNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-2-19(23(21,22)13-8-4-3-5-9-13)12-16(20)18-15-11-7-6-10-14(15)17/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide has a molecular weight of 397.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 45371859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).