N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide

C22H28FN3O3S2 — CID 3640175

IUPACN-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3S2/c23-19-7-9-20(10-8-19)25-11-13-26(14-12-25)22(27)18-5-3-17(4-6-18)16-24-31(28,29)21-2-1-15-30-21/h1-2,7-10,15,17-18,24H,3-6,11-14,16H2
InChIKeyQKBQBZRKMWCREJ-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.32
Rot. Bonds6

About N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide

N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide (PubChem CID 3640175) has the molecular formula C22H28FN3O3S2 and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
PubChem CID3640175
Molecular FormulaC22H28FN3O3S2
Molecular Weight465.62 g/mol
Exact Mass465.16
IUPAC NameN-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3S2/c23-19-7-9-20(10-8-19)25-11-13-26(14-12-25)22(27)18-5-3-17(4-6-18)16-24-31(28,29)21-2-1-15-30-21/h1-2,7-10,15,17-18,24H,3-6,11-14,16H2
InChIKeyQKBQBZRKMWCREJ-UHFFFAOYSA-N
XLogP3.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide (CID 3640175) is N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide is O=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
The InChIKey is QKBQBZRKMWCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S2/c23-19-7-9-20(10-8-19)25-11-13-26(14-12-25)22(27)18-5-3-17(4-6-18)16-24-31(28,29)21-2-1-15-30-21/h1-2,7-10,15,17-18,24H,3-6,11-14,16H2.
What are the key properties of N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide has a molecular weight of 465.62 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3640175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).