N-butyl-1-(4-chlorophenyl)methanesulfonamide

C11H16ClNO2S — CID 18891362

IUPACN-butyl-1-(4-chlorophenyl)methanesulfonamide
SMILESCCCCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c1-2-3-8-13-16(14,15)9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChIKeyPNOYPFLXKUMNMI-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.56
Rot. Bonds6

About N-butyl-1-(4-chlorophenyl)methanesulfonamide

N-butyl-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 18891362) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-butyl-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-1-(4-chlorophenyl)methanesulfonamide
PubChem CID18891362
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-butyl-1-(4-chlorophenyl)methanesulfonamide
SMILESCCCCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c1-2-3-8-13-16(14,15)9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChIKeyPNOYPFLXKUMNMI-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
ethyl 2-[4-(butylsulfamoylmethyl)phenyl]acetate
CID 58942884
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
CID 118327460
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-butyl-1-(4-chlorophenyl)methanesulfonamide (CID 18891362) is N-butyl-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-butyl-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-butyl-1-(4-chlorophenyl)methanesulfonamide is CCCCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is PNOYPFLXKUMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-2-3-8-13-16(14,15)9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of N-butyl-1-(4-chlorophenyl)methanesulfonamide?
N-butyl-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 18891362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).