N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide

C21H27N3O6S2 — CID 653550

IUPACN-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2
InChIKeyXUBAURFPEIALIN-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.04
Rot. Bonds6

About N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide

N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 653550) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide
PubChem CID653550
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC NameN-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2
InChIKeyXUBAURFPEIALIN-UHFFFAOYSA-N
XLogP2.04
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide (CID 653550) is N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide is O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is XUBAURFPEIALIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2.
What are the key properties of N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 481.60 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 653550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).