5-(4-chlorophenyl)sulfonylpentan-1-amine

C11H16ClNO2S — CID 22617016

IUPAC5-(4-chlorophenyl)sulfonylpentan-1-amine
SMILESNCCCCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c12-10-4-6-11(7-5-10)16(14,15)9-3-1-2-8-13/h4-7H,1-3,8-9,13H2
InChIKeyRXFWVECMADBGIO-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.24
Rot. Bonds6

About 5-(4-chlorophenyl)sulfonylpentan-1-amine

5-(4-chlorophenyl)sulfonylpentan-1-amine (PubChem CID 22617016) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonylpentan-1-amine
PubChem CID22617016
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name5-(4-chlorophenyl)sulfonylpentan-1-amine
SMILESNCCCCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c12-10-4-6-11(7-5-10)16(14,15)9-3-1-2-8-13/h4-7H,1-3,8-9,13H2
InChIKeyRXFWVECMADBGIO-UHFFFAOYSA-N
XLogP2.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-(2-bromoethylsulfonyl)-4-chlorobenzene
CID 18526465
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
1-chloro-4-[2-[2-(4-chlorophenyl)sulfonylethylperoxy]ethylsulfonyl]benzene
CID 71390594
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
3-(4-nitrosophenyl)sulfonylpropan-1-amine
CID 149118924
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonylpentan-1-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonylpentan-1-amine (CID 22617016) is 5-(4-chlorophenyl)sulfonylpentan-1-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonylpentan-1-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonylpentan-1-amine is NCCCCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonylpentan-1-amine?
The InChIKey is RXFWVECMADBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c12-10-4-6-11(7-5-10)16(14,15)9-3-1-2-8-13/h4-7H,1-3,8-9,13H2.
What are the key properties of 5-(4-chlorophenyl)sulfonylpentan-1-amine?
5-(4-chlorophenyl)sulfonylpentan-1-amine has a molecular weight of 261.77 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonylpentan-1-amine is sourced from PubChem (CID 22617016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).