N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide

C14H18N4O2S — CID 166308955

IUPACN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
SMILESC[C@H](NS(=O)(=O)N1CCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H18N4O2S/c1-12(16-21(19,20)18-8-2-9-18)13-3-5-14(6-4-13)17-10-7-15-11-17/h3-7,10-12,16H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyGEDOGOURFHYVTC-LBPRGKRZSA-N
MW306.39 g/mol
LogP1.47
Rot. Bonds5

About N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide (PubChem CID 166308955) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
PubChem CID166308955
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
SMILESC[C@H](NS(=O)(=O)N1CCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H18N4O2S/c1-12(16-21(19,20)18-8-2-9-18)13-3-5-14(6-4-13)17-10-7-15-11-17/h3-7,10-12,16H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyGEDOGOURFHYVTC-LBPRGKRZSA-N
XLogP1.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 40663815
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215873
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 46799865
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210084

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide (CID 166308955) is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide is C[C@H](NS(=O)(=O)N1CCC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide?
The InChIKey is GEDOGOURFHYVTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-12(16-21(19,20)18-8-2-9-18)13-3-5-14(6-4-13)17-10-7-15-11-17/h3-7,10-12,16H,2,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide?
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide is sourced from PubChem (CID 166308955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).