N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide

C22H23NO3S2 — CID 90523303

IUPACN-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO3S2/c24-28(25,21-11-10-18-6-4-5-7-19(18)16-21)23-17-22(12-14-26-15-13-22)27-20-8-2-1-3-9-20/h1-11,16,23H,12-15,17H2
InChIKeyORYNBZLTVLSESE-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.46
Rot. Bonds6

About N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide

N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 90523303) has the molecular formula C22H23NO3S2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide
PubChem CID90523303
Molecular FormulaC22H23NO3S2
Molecular Weight413.56 g/mol
Exact Mass413.11
IUPAC NameN-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO3S2/c24-28(25,21-11-10-18-6-4-5-7-19(18)16-21)23-17-22(12-14-26-15-13-22)27-20-8-2-1-3-9-20/h1-11,16,23H,12-15,17H2
InChIKeyORYNBZLTVLSESE-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90604736
N-[(4-phenylsulfanyloxan-4-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 90604751
2,3,5,6-tetramethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90523306
2,4-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90604731
1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide
CID 90604724
2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
CID 90523286
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide (CID 90523303) is N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide is O=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is ORYNBZLTVLSESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S2/c24-28(25,21-11-10-18-6-4-5-7-19(18)16-21)23-17-22(12-14-26-15-13-22)27-20-8-2-1-3-9-20/h1-11,16,23H,12-15,17H2.
What are the key properties of N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide?
N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 413.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 90523303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).