1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

C14H18ClN3O2S — CID 106871058

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1ccc(Cn2cc(S(N)(=O)=O)nc2C(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c1-9(2)14-17-13(21(16,19)20)8-18(14)7-11-5-4-10(3)6-12(11)15/h4-6,8-9H,7H2,1-3H3,(H2,16,19,20)
InChIKeyRDLWOLQNRXASMH-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.66
Rot. Bonds4

About 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 106871058) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID106871058
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1ccc(Cn2cc(S(N)(=O)=O)nc2C(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c1-9(2)14-17-13(21(16,19)20)8-18(14)7-11-5-4-10(3)6-12(11)15/h4-6,8-9H,7H2,1-3H3,(H2,16,19,20)
InChIKeyRDLWOLQNRXASMH-UHFFFAOYSA-N
XLogP2.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81337314
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81336915
1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81341051
1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81339724
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 103051987
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
2-[(2-chloro-4-methylphenyl)methylsulfonyl]propan-1-amine
CID 106871026
1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340365
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
CID 140936519
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 106871058) is 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is Cc1ccc(Cn2cc(S(N)(=O)=O)nc2C(C)C)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is RDLWOLQNRXASMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-9(2)14-17-13(21(16,19)20)8-18(14)7-11-5-4-10(3)6-12(11)15/h4-6,8-9H,7H2,1-3H3,(H2,16,19,20).
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 106871058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).