2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide

C11H13BrN2O3S — CID 81185115

IUPAC2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
SMILESNc1cc(Br)ccc1S(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H13BrN2O3S/c12-7-1-4-10(9(13)5-7)18(16,17)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15)
InChIKeyYUIZYTDEXSHGRM-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide

2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide (PubChem CID 81185115) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
PubChem CID81185115
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
SMILESNc1cc(Br)ccc1S(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H13BrN2O3S/c12-7-1-4-10(9(13)5-7)18(16,17)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15)
InChIKeyYUIZYTDEXSHGRM-UHFFFAOYSA-N
XLogP1.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.08
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-methylphenyl)sulfonyl-N-cyclopentylacetamide
CID 81191498
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 116528718
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
CID 79378044
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 81466367
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
5-bromo-2-[(4-methylphenyl)methylsulfonyl]aniline
CID 81184257

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide (CID 81185115) is 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide is Nc1cc(Br)ccc1S(=O)(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide?
The InChIKey is YUIZYTDEXSHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-7-1-4-10(9(13)5-7)18(16,17)6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide?
2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide has a molecular weight of 333.21 g/mol, XLogP of 1.08, 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-cyclopropylacetamide is sourced from PubChem (CID 81185115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).