1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide

C18H17ClFN3O2S — CID 99951684

IUPAC1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFN3O2S/c1-13-21-9-10-23(13)15-7-5-14(6-8-15)11-22-26(24,25)12-16-17(19)3-2-4-18(16)20/h2-10,22H,11-12H2,1H3
InChIKeyWODFYQQGMBCIOU-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide (PubChem CID 99951684) has the molecular formula C18H17ClFN3O2S and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
PubChem CID99951684
Molecular FormulaC18H17ClFN3O2S
Molecular Weight393.87 g/mol
Exact Mass393.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFN3O2S/c1-13-21-9-10-23(13)15-7-5-14(6-8-15)11-22-26(24,25)12-16-17(19)3-2-4-18(16)20/h2-10,22H,11-12H2,1H3
InChIKeyWODFYQQGMBCIOU-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 99957515
1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 92674136
1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 28576901
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
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4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 100691010
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
CID 92686097
2-chloro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92679670
1-(3-chlorophenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
CID 100639847
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 46772194
1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 92680578

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide (CID 99951684) is 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide is Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is WODFYQQGMBCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2S/c1-13-21-9-10-23(13)15-7-5-14(6-8-15)11-22-26(24,25)12-16-17(19)3-2-4-18(16)20/h2-10,22H,11-12H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 393.87 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 99951684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).