3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide

C12H17ClFN3O3S — CID 103051240

IUPAC3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C12H17ClFN3O3S/c1-2-4-16-11(18)3-5-17-21(19,20)10-7-8(13)6-9(15)12(10)14/h6-7,17H,2-5,15H2,1H3,(H,16,18)
InChIKeyYNCIUABQRRSVQA-UHFFFAOYSA-N
MW337.80 g/mol
LogP1.26
Rot. Bonds7

About 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide

3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 103051240) has the molecular formula C12H17ClFN3O3S and a molecular weight of 337.80 g/mol. Its IUPAC name is 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID103051240
Molecular FormulaC12H17ClFN3O3S
Molecular Weight337.80 g/mol
Exact Mass337.07
IUPAC Name3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C12H17ClFN3O3S/c1-2-4-16-11(18)3-5-17-21(19,20)10-7-8(13)6-9(15)12(10)14/h6-7,17H,2-5,15H2,1H3,(H,16,18)
InChIKeyYNCIUABQRRSVQA-UHFFFAOYSA-N
XLogP1.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide (CID 103051240) is 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is YNCIUABQRRSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O3S/c1-2-4-16-11(18)3-5-17-21(19,20)10-7-8(13)6-9(15)12(10)14/h6-7,17H,2-5,15H2,1H3,(H,16,18).
What are the key properties of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide?
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 337.80 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 103051240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).