1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide

C18H18ClN3O2S — CID 22450062

IUPAC1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C18H18ClN3O2S/c19-17-7-5-16(6-8-17)12-25(23,24)22-10-15-3-1-14(2-4-15)9-18-11-20-13-21-18/h1-8,11,13,22H,9-10,12H2,(H,20,21)
InChIKeyLLTJAVRIBFYCRQ-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.27
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide (PubChem CID 22450062) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
PubChem CID22450062
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C18H18ClN3O2S/c19-17-7-5-16(6-8-17)12-25(23,24)22-10-15-3-1-14(2-4-15)9-18-11-20-13-21-18/h1-8,11,13,22H,9-10,12H2,(H,20,21)
InChIKeyLLTJAVRIBFYCRQ-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-yl)butyl]methanesulfonamide
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1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
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N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
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1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
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2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739044
1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110738887
N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
CID 18314041
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide (CID 22450062) is 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is LLTJAVRIBFYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-17-7-5-16(6-8-17)12-25(23,24)22-10-15-3-1-14(2-4-15)9-18-11-20-13-21-18/h1-8,11,13,22H,9-10,12H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.27, 7 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-ylmethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 22450062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).