N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide

C27H21NO3S2 — CID 23096843

IUPACN-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
SMILESO=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C27H21NO3S2/c29-27(20-10-15-26-21(17-20)16-19-6-4-5-9-25(19)26)18-32-23-13-11-22(12-14-23)28-33(30,31)24-7-2-1-3-8-24/h1-15,17,28H,16,18H2
InChIKeyGXTCZBCBGOJVPF-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.03
Rot. Bonds7

About N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide

N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide (PubChem CID 23096843) has the molecular formula C27H21NO3S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
PubChem CID23096843
Molecular FormulaC27H21NO3S2
Molecular Weight471.60 g/mol
Exact Mass471.10
IUPAC NameN-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
SMILESO=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C27H21NO3S2/c29-27(20-10-15-26-21(17-20)16-19-6-4-5-9-25(19)26)18-32-23-13-11-22(12-14-23)28-33(30,31)24-7-2-1-3-8-24/h1-15,17,28H,16,18H2
InChIKeyGXTCZBCBGOJVPF-UHFFFAOYSA-N
XLogP6.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 22778319
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
(E)-4-[3-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894841
N-[(Z)-3-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783646
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
2-(4-chlorophenyl)sulfanyl-N-(9H-fluoren-2-yl)acetamide
CID 1284497
1-(9H-fluoren-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylethanone
CID 7467328

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide (CID 23096843) is N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide is O=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
The InChIKey is GXTCZBCBGOJVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO3S2/c29-27(20-10-15-26-21(17-20)16-19-6-4-5-9-25(19)26)18-32-23-13-11-22(12-14-23)28-33(30,31)24-7-2-1-3-8-24/h1-15,17,28H,16,18H2.
What are the key properties of N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide has a molecular weight of 471.60 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide is sourced from PubChem (CID 23096843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).