N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide

C24H28FN3O4S2 — CID 42826125

IUPACN-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C(C)C)C2CC2)cc1
InChIInChI=1S/C24H28FN3O4S2/c1-17(2)28-22(14-26-24(28)33(29,30)16-19-6-8-20(25)9-7-19)15-27(21-10-11-21)34(31,32)23-12-4-18(3)5-13-23/h4-9,12-14,17,21H,10-11,15-16H2,1-3H3
InChIKeyRJDVCFRWAATAHX-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.24
Rot. Bonds9

About N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide

N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 42826125) has the molecular formula C24H28FN3O4S2 and a molecular weight of 505.64 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID42826125
Molecular FormulaC24H28FN3O4S2
Molecular Weight505.64 g/mol
Exact Mass505.15
IUPAC NameN-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C(C)C)C2CC2)cc1
InChIInChI=1S/C24H28FN3O4S2/c1-17(2)28-22(14-26-24(28)33(29,30)16-19-6-8-20(25)9-7-19)15-27(21-10-11-21)34(31,32)23-12-4-18(3)5-13-23/h4-9,12-14,17,21H,10-11,15-16H2,1-3H3
InChIKeyRJDVCFRWAATAHX-UHFFFAOYSA-N
XLogP4.24
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide
CID 83280712
N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819771
3-chloro-N-[[2-[(4-methylphenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 83287497
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152
4-methyl-N-[[2-[(2-methylphenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93146634
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 46108332
4-[[2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 46108452
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 87032983

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide (CID 42826125) is N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C(C)C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is RJDVCFRWAATAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S2/c1-17(2)28-22(14-26-24(28)33(29,30)16-19-6-8-20(25)9-7-19)15-27(21-10-11-21)34(31,32)23-12-4-18(3)5-13-23/h4-9,12-14,17,21H,10-11,15-16H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide?
N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 505.64 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42826125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).