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

C10H13BrN2O3S — CID 9356234

IUPAC2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyKSYYUSHHDQCDMU-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.82
Rot. Bonds4

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

2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 9356234) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID9356234
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyKSYYUSHHDQCDMU-UHFFFAOYSA-N
XLogP0.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
CID 46404289
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 9356234) is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is KSYYUSHHDQCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 321.20 g/mol, XLogP of 0.82, 4 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-methylacetamide is sourced from PubChem (CID 9356234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).