3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide

C16H25ClN2O3S — CID 46515955

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O3S/c1-3-4-5-7-13(2)19-16(20)10-11-18-23(21,22)15-9-6-8-14(17)12-15/h6,8-9,12-13,18H,3-5,7,10-11H2,1-2H3,(H,19,20)
InChIKeyQRLBRFHLPMPQTP-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.09
Rot. Bonds10

About 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide

3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide (PubChem CID 46515955) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
PubChem CID46515955
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O3S/c1-3-4-5-7-13(2)19-16(20)10-11-18-23(21,22)15-9-6-8-14(17)12-15/h6,8-9,12-13,18H,3-5,7,10-11H2,1-2H3,(H,19,20)
InChIKeyQRLBRFHLPMPQTP-UHFFFAOYSA-N
XLogP3.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]hexanamide
CID 30381788
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide
CID 55933558
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide (CID 46515955) is 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide?
The InChIKey is QRLBRFHLPMPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-3-4-5-7-13(2)19-16(20)10-11-18-23(21,22)15-9-6-8-14(17)12-15/h6,8-9,12-13,18H,3-5,7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide has a molecular weight of 360.91 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide is sourced from PubChem (CID 46515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).