3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide

C13H18FN3O3S — CID 116792003

IUPAC3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1c(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)cc1F
InChIInChI=1S/C13H18FN3O3S/c1-8-11(14)6-10(7-12(8)15)21(19,20)16-5-4-13(18)17-9-2-3-9/h6-7,9,16H,2-5,15H2,1H3,(H,17,18)
InChIKeyPTOVACSBBLCXBV-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.66
Rot. Bonds6

About 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide

3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 116792003) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID116792003
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1c(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)cc1F
InChIInChI=1S/C13H18FN3O3S/c1-8-11(14)6-10(7-12(8)15)21(19,20)16-5-4-13(18)17-9-2-3-9/h6-7,9,16H,2-5,15H2,1H3,(H,17,18)
InChIKeyPTOVACSBBLCXBV-UHFFFAOYSA-N
XLogP0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 116791527
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79379980
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
CID 116791519
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
CID 116791811
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide (CID 116792003) is 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide is Cc1c(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)cc1F.
What is the InChIKey of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is PTOVACSBBLCXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-8-11(14)6-10(7-12(8)15)21(19,20)16-5-4-13(18)17-9-2-3-9/h6-7,9,16H,2-5,15H2,1H3,(H,17,18).
What are the key properties of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 315.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 116792003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).