1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide

C18H17Cl2N3O2S — CID 92674136

IUPAC1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2S/c1-13-21-8-9-23(13)17-6-2-14(3-7-17)11-22-26(24,25)12-15-4-5-16(19)10-18(15)20/h2-10,22H,11-12H2,1H3
InChIKeyISHCXBLPNKKOCX-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.11
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide

1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide (PubChem CID 92674136) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
PubChem CID92674136
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2S/c1-13-21-8-9-23(13)17-6-2-14(3-7-17)11-22-26(24,25)12-15-4-5-16(19)10-18(15)20/h2-10,22H,11-12H2,1H3
InChIKeyISHCXBLPNKKOCX-UHFFFAOYSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 99951684
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43908416
[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
CID 62945208
4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 100691010
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
CID 92686097
4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55906894
1-(3-chlorophenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
CID 100639847
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 46772194
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43902073

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide (CID 92674136) is 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide is Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is ISHCXBLPNKKOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c1-13-21-8-9-23(13)17-6-2-14(3-7-17)11-22-26(24,25)12-15-4-5-16(19)10-18(15)20/h2-10,22H,11-12H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide?
1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 92674136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).