1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide

C13H16ClN3O2S — CID 2974166

IUPAC1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCCn1ccnc1
InChIInChI=1S/C13H16ClN3O2S/c14-13-4-2-12(3-5-13)10-20(18,19)16-6-1-8-17-9-7-15-11-17/h2-5,7,9,11,16H,1,6,8,10H2
InChIKeyGDHIMJQLBAQPCB-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.05
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide

1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide (PubChem CID 2974166) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide
PubChem CID2974166
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCCn1ccnc1
InChIInChI=1S/C13H16ClN3O2S/c14-13-4-2-12(3-5-13)10-20(18,19)16-6-1-8-17-9-7-15-11-17/h2-5,7,9,11,16H,1,6,8,10H2
InChIKeyGDHIMJQLBAQPCB-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2986658
4,5-dichloro-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 2986092
2,4-Dichloro-N-(3-imidazol-1-yl-propyl)-3-methyl-benzenesulfonamide
CID 5312199
1-(4-chlorophenyl)-N-[8-(1H-imidazol-5-yl)octyl]methanesulfonamide
CID 44335850
1-(4-chlorophenyl)-N-[10-(1H-imidazol-5-yl)decyl]methanesulfonamide
CID 44335911
1-(4-chlorophenyl)-N-[7-(1H-imidazol-5-yl)heptyl]methanesulfonamide
CID 44335926
1-(4-chlorophenyl)-N-[5-(1H-imidazol-5-yl)pentyl]methanesulfonamide
CID 44335952
1-(4-chlorophenyl)-N-[6-(1H-imidazol-5-yl)hexyl]methanesulfonamide
CID 44335977
N-[3-(1H-imidazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 2843368
1-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]methanesulfonamide
CID 44335797
3-chloro-4-cyano-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 45822281

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide (CID 2974166) is 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCCCn1ccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide?
The InChIKey is GDHIMJQLBAQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c14-13-4-2-12(3-5-13)10-20(18,19)16-6-1-8-17-9-7-15-11-17/h2-5,7,9,11,16H,1,6,8,10H2.
What are the key properties of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 2974166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).