N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide

C14H18ClN3O2S — CID 18314087

IUPACN-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCc1cnc[nH]1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)9-18-21(19,20)8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18H,1-3,8-9H2,(H,16,17)
InChIKeyBSZWNIMJNAZBQZ-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.51
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide

N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide (PubChem CID 18314087) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
PubChem CID18314087
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCc1cnc[nH]1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)9-18-21(19,20)8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18H,1-3,8-9H2,(H,16,17)
InChIKeyBSZWNIMJNAZBQZ-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'}

Analyze N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
CID 22450062
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
CID 18314041
3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
CID 18682699
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
3-(1H-imidazol-5-yl)propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate
CID 10426315
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide (CID 18314087) is N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide is O=S(=O)(CCCCc1cnc[nH]1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide?
The InChIKey is BSZWNIMJNAZBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)9-18-21(19,20)8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18H,1-3,8-9H2,(H,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide?
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide 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 N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 18314087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).