N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide

C14H15NO2S — CID 67712585

IUPACN-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide
SMILESO=S(Nc1ccc(CCO)cc1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c16-11-10-12-6-8-13(9-7-12)15-18(17)14-4-2-1-3-5-14/h1-9,15-16H,10-11H2
InChIKeyRKSPXLQZBKTJNI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.36
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide

N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide (PubChem CID 67712585) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide
PubChem CID67712585
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide
SMILESO=S(Nc1ccc(CCO)cc1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c16-11-10-12-6-8-13(9-7-12)15-18(17)14-4-2-1-3-5-14/h1-9,15-16H,10-11H2
InChIKeyRKSPXLQZBKTJNI-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

formaldehyde;2-phenylethanol
CID 143785167
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
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2-anilino-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61237525
4-(2-hydroxyethyl)benzoic acid
CID 506062
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
CID 110902658
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
N-(3-ethynylphenyl)benzenesulfinamide
CID 130315591
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
[4-(2-hydroxyethyl)phenyl]carbamodithioic acid
CID 155817851
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CID 130433117

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide (CID 67712585) is N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide is O=S(Nc1ccc(CCO)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide?
The InChIKey is RKSPXLQZBKTJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-11-10-12-6-8-13(9-7-12)15-18(17)14-4-2-1-3-5-14/h1-9,15-16H,10-11H2.
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide?
N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide has a molecular weight of 261.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide is sourced from PubChem (CID 67712585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).