2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide

C10H13Br2N3O3S — CID 43374774

IUPAC2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H13Br2N3O3S/c1-14-9(16)5-15(2)19(17,18)10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3,(H,14,16)
InChIKeySHRYOLGQRXZQAQ-UHFFFAOYSA-N
MW415.11 g/mol
LogP1.16
Rot. Bonds4

About 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43374774) has the molecular formula C10H13Br2N3O3S and a molecular weight of 415.11 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43374774
Molecular FormulaC10H13Br2N3O3S
Molecular Weight415.11 g/mol
Exact Mass412.90
IUPAC Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H13Br2N3O3S/c1-14-9(16)5-15(2)19(17,18)10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3,(H,14,16)
InChIKeySHRYOLGQRXZQAQ-UHFFFAOYSA-N
XLogP1.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.11
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 43374774) is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is SHRYOLGQRXZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3O3S/c1-14-9(16)5-15(2)19(17,18)10-7(11)3-6(13)4-8(10)12/h3-4H,5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 415.11 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).