4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide

C12H17ClN2O3S — CID 119290606

IUPAC4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
SMILESNCCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c13-10-3-5-11(6-4-10)19(17,18)9-8-15-12(16)2-1-7-14/h3-6H,1-2,7-9,14H2,(H,15,16)
InChIKeyGAFHQFXFOGMWOF-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.97
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide

4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide (PubChem CID 119290606) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
PubChem CID119290606
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
SMILESNCCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c13-10-3-5-11(6-4-10)19(17,18)9-8-15-12(16)2-1-7-14/h3-6H,1-2,7-9,14H2,(H,15,16)
InChIKeyGAFHQFXFOGMWOF-UHFFFAOYSA-N
XLogP0.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
CID 46584501
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
CID 51091918
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide (CID 119290606) is 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide is NCCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide?
The InChIKey is GAFHQFXFOGMWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-10-3-5-11(6-4-10)19(17,18)9-8-15-12(16)2-1-7-14/h3-6H,1-2,7-9,14H2,(H,15,16).
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide?
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide has a molecular weight of 304.80 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide is sourced from PubChem (CID 119290606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).