(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide

C19H17NO3S2 — CID 143906959

IUPAC(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide
SMILESC/C=C/S(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C19H17NO3S2/c1-2-12-25(22,23)20-17-13-18(24-14-8-4-3-5-9-14)19(21)16-11-7-6-10-15(16)17/h2-13,20-21H,1H3/b12-2+
InChIKeySBGRUXHEAAVZCU-SWGQDTFXSA-N
MW371.48 g/mol
LogP4.97
Rot. Bonds5

About (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide

(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide (PubChem CID 143906959) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide
PubChem CID143906959
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide
SMILESC/C=C/S(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C19H17NO3S2/c1-2-12-25(22,23)20-17-13-18(24-14-8-4-3-5-9-14)19(21)16-11-7-6-10-15(16)17/h2-13,20-21H,1H3/b12-2+
InChIKeySBGRUXHEAAVZCU-SWGQDTFXSA-N
XLogP4.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(3Z)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)penta-1,3-diene-2-sulfonamide
CID 143906913
(2E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methylpenta-2,4-diene-2-sulfonamide
CID 143906947
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565778
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
CID 58565599
5-chloro-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)thiophene-2-sulfonamide
CID 58565677
4-bromo-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 58565705
2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide
CID 58565680
2-phenylsulfanylnaphthalene-1,4-diol
CID 15508792
4-chloro-N-[4-hydroxy-3-(4-methylphenyl)sulfanylnaphthalen-1-yl]-3-methylbenzenesulfonamide
CID 25040306
ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
CID 144779161
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
CID 1296368
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]propane-2-sulfonamide
CID 58565676

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide (CID 143906959) is (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide is C/C=C/S(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide?
The InChIKey is SBGRUXHEAAVZCU-SWGQDTFXSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-2-12-25(22,23)20-17-13-18(24-14-8-4-3-5-9-14)19(21)16-11-7-6-10-15(16)17/h2-13,20-21H,1H3/b12-2+.
What are the key properties of (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide?
(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide has a molecular weight of 371.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide is sourced from PubChem (CID 143906959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).