2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C12H15BrN2O3S — CID 8816672

IUPAC2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-15(8-12(16)14-10-5-6-10)19(17,18)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8H2,1H3,(H,14,16)
InChIKeyRHFLIQNFWXLUSA-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.35
Rot. Bonds5

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

2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 8816672) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID8816672
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-15(8-12(16)14-10-5-6-10)19(17,18)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8H2,1H3,(H,14,16)
InChIKeyRHFLIQNFWXLUSA-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 8816672) is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is RHFLIQNFWXLUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-15(8-12(16)14-10-5-6-10)19(17,18)11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 347.23 g/mol, XLogP of 1.35, 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-cyclopropylacetamide is sourced from PubChem (CID 8816672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).