1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide

C14H18ClN3O2S — CID 11278861

IUPAC1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCCCc1cnc[nH]1
InChIInChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)10-21(19,20)18-8-2-1-3-14-9-16-11-17-14/h4-7,9,11,18H,1-3,8,10H2,(H,16,17)
InChIKeyNAEQBYFVDVLTHL-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.51
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide

1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide (PubChem CID 11278861) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
PubChem CID11278861
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCCCc1cnc[nH]1
InChIInChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)10-21(19,20)18-8-2-1-3-14-9-16-11-17-14/h4-7,9,11,18H,1-3,8,10H2,(H,16,17)
InChIKeyNAEQBYFVDVLTHL-UHFFFAOYSA-N
XLogP2.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.51
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

N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
CID 18314087
1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
CID 22450062
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 22081061
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
CID 18682699
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide (CID 11278861) is 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCCCCc1cnc[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide?
The InChIKey is NAEQBYFVDVLTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)10-21(19,20)18-8-2-1-3-14-9-16-11-17-14/h4-7,9,11,18H,1-3,8,10H2,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide is sourced from PubChem (CID 11278861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).