2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide

C12H17BrN2O3S — CID 81184759

IUPAC2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O3S/c1-7(2)15-12(16)8(3)19(17,18)11-5-4-9(13)6-10(11)14/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyUYKCTCRKEYGTHJ-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.72
Rot. Bonds4

About 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide

2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 81184759) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID81184759
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O3S/c1-7(2)15-12(16)8(3)19(17,18)11-5-4-9(13)6-10(11)14/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyUYKCTCRKEYGTHJ-UHFFFAOYSA-N
XLogP1.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.72
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-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81185447
2-(2-amino-4-bromophenyl)sulfonyl-N-butylpropanamide
CID 81184579
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81176298
2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
CID 82839375
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
CID 81176309

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide (CID 81184759) is 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide?
The InChIKey is UYKCTCRKEYGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-7(2)15-12(16)8(3)19(17,18)11-5-4-9(13)6-10(11)14/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide?
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 349.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 81184759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).