N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide

C23H30FNO4S2 — CID 57430483

IUPACN-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C23H30FNO4S2/c1-15(2)20-13-21(16(3)4)23(31(28,29)25-18-7-5-6-8-18)14-22(20)30(26,27)19-11-9-17(24)10-12-19/h9-16,18,25H,5-8H2,1-4H3
InChIKeyRGQJUDDXUKXDHN-UHFFFAOYSA-N
MW467.63 g/mol
LogP5.13
Rot. Bonds7

About N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide

N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide (PubChem CID 57430483) has the molecular formula C23H30FNO4S2 and a molecular weight of 467.63 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide
PubChem CID57430483
Molecular FormulaC23H30FNO4S2
Molecular Weight467.63 g/mol
Exact Mass467.16
IUPAC NameN-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C23H30FNO4S2/c1-15(2)20-13-21(16(3)4)23(31(28,29)25-18-7-5-6-8-18)14-22(20)30(26,27)19-11-9-17(24)10-12-19/h9-16,18,25H,5-8H2,1-4H3
InChIKeyRGQJUDDXUKXDHN-UHFFFAOYSA-N
XLogP5.13
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.63
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
CID 69116642
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide (CID 57430483) is N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide?
The InChIKey is RGQJUDDXUKXDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO4S2/c1-15(2)20-13-21(16(3)4)23(31(28,29)25-18-7-5-6-8-18)14-22(20)30(26,27)19-11-9-17(24)10-12-19/h9-16,18,25H,5-8H2,1-4H3.
What are the key properties of N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide?
N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide has a molecular weight of 467.63 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 57430483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).