4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide

C13H18BrN3O3S — CID 115329624

IUPAC4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccc1Br
InChIInChI=1S/C13H18BrN3O3S/c14-11-6-5-10(8-12(11)15)21(19,20)16-7-1-2-13(18)17-9-3-4-9/h5-6,8-9,16H,1-4,7,15H2,(H,17,18)
InChIKeyNAOZSJAXWXMYKZ-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.37
Rot. Bonds7

About 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide

4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 115329624) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID115329624
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccc1Br
InChIInChI=1S/C13H18BrN3O3S/c14-11-6-5-10(8-12(11)15)21(19,20)16-7-1-2-13(18)17-9-3-4-9/h5-6,8-9,16H,1-4,7,15H2,(H,17,18)
InChIKeyNAOZSJAXWXMYKZ-UHFFFAOYSA-N
XLogP1.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
CID 79381730
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 116528718
2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
CID 9165558
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 116792003
N-(1-propan-2-ylpiperidin-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86845593

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide (CID 115329624) is 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide is Nc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccc1Br.
What is the InChIKey of 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is NAOZSJAXWXMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c14-11-6-5-10(8-12(11)15)21(19,20)16-7-1-2-13(18)17-9-3-4-9/h5-6,8-9,16H,1-4,7,15H2,(H,17,18).
What are the key properties of 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide has a molecular weight of 376.28 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 115329624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).