N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide

C14H21ClN2O3S — CID 107751449

IUPACN-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
SMILESCCCCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-5-8-21(19,20)10(2)14(18)17-13-7-6-11(16)9-12(13)15/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyIBRILZQDYBXGCI-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.85
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide

N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide (PubChem CID 107751449) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
PubChem CID107751449
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
SMILESCCCCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-5-8-21(19,20)10(2)14(18)17-13-7-6-11(16)9-12(13)15/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyIBRILZQDYBXGCI-UHFFFAOYSA-N
XLogP2.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.85
H-Bond Donors ≤ 52
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

N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
methyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfonylacetate
CID 43618134
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide
CID 47378185
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
N-[3-(aminomethyl)phenyl]-2-pentylsulfonylpropanamide
CID 107766724

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide (CID 107751449) is N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide is CCCCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide?
The InChIKey is IBRILZQDYBXGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-4-5-8-21(19,20)10(2)14(18)17-13-7-6-11(16)9-12(13)15/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide?
N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide has a molecular weight of 332.85 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide is sourced from PubChem (CID 107751449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).