1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one

C26H29ClF3N5O4S — CID 25029292

IUPAC1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one
SMILESO=C(C1CN(S(=O)(=O)c2ccccc2)C(=O)N1C1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C26H29ClF3N5O4S/c27-21-15-18(26(28,29)30)16-31-23(21)32-11-13-33(14-12-32)24(36)22-17-34(40(38,39)20-9-5-2-6-10-20)25(37)35(22)19-7-3-1-4-8-19/h2,5-6,9-10,15-16,19,22H,1,3-4,7-8,11-14,17H2
InChIKeyMDUBYZKATHICME-UHFFFAOYSA-N
MW600.06 g/mol
LogP4.23
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one

1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one (PubChem CID 25029292) has the molecular formula C26H29ClF3N5O4S and a molecular weight of 600.06 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one
PubChem CID25029292
Molecular FormulaC26H29ClF3N5O4S
Molecular Weight600.06 g/mol
Exact Mass599.16
IUPAC Name1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one
SMILESO=C(C1CN(S(=O)(=O)c2ccccc2)C(=O)N1C1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C26H29ClF3N5O4S/c27-21-15-18(26(28,29)30)16-31-23(21)32-11-13-33(14-12-32)24(36)22-17-34(40(38,39)20-9-5-2-6-10-20)25(37)35(22)19-7-3-1-4-8-19/h2,5-6,9-10,15-16,19,22H,1,3-4,7-8,11-14,17H2
InChIKeyMDUBYZKATHICME-UHFFFAOYSA-N
XLogP4.23
TPSA94.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.06
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one (CID 25029292) is 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one is O=C(C1CN(S(=O)(=O)c2ccccc2)C(=O)N1C1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one?
The InChIKey is MDUBYZKATHICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N5O4S/c27-21-15-18(26(28,29)30)16-31-23(21)32-11-13-33(14-12-32)24(36)22-17-34(40(38,39)20-9-5-2-6-10-20)25(37)35(22)19-7-3-1-4-8-19/h2,5-6,9-10,15-16,19,22H,1,3-4,7-8,11-14,17H2.
What are the key properties of 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one?
1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one has a molecular weight of 600.06 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-cyclohexylimidazolidin-2-one is sourced from PubChem (CID 25029292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).