2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C12H17BrN2O3S — CID 40703932

IUPAC2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-5-10(13)7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyDVXAHSTYYDDQPP-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.59
Rot. Bonds5

About 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 40703932) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID40703932
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-5-10(13)7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyDVXAHSTYYDDQPP-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 28536385
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 116528263
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 8815778
2-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 8815647
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 40703932) is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is DVXAHSTYYDDQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-5-10(13)7-11/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 349.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 40703932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).