N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide

C13H20N2O3S — CID 107736844

IUPACN-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)C1CCCNC1
InChIInChI=1S/C13H20N2O3S/c1-2-15(11-5-3-6-12(16)9-11)19(17,18)13-7-4-8-14-10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3
InChIKeyPCBBGWXTYQFXAP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.30
Rot. Bonds4

About N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide

N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide (PubChem CID 107736844) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide
PubChem CID107736844
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)C1CCCNC1
InChIInChI=1S/C13H20N2O3S/c1-2-15(11-5-3-6-12(16)9-11)19(17,18)13-7-4-8-14-10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3
InChIKeyPCBBGWXTYQFXAP-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethylaminophenol
CID 578991
1-(3-Hydroxyphenyl)piperazine
CID 2736597
3-[2-(4-Phenylpiperazin-1-yl)ethylamino]phenol
CID 90656675
m-(Isopropylamino)phenol
CID 90115
Methanesulfonic acid 3-(4-propyl-piperazin-1-yl)-phenyl ester
CID 71653293
3-(Propylamino)phenol
CID 12950423
N-(3-hydroxyphenyl)butane-1-sulfonamide
CID 8834353
3-(4-(Methylsulfonyl)piperazin-1-yl)phenol
CID 640050
2-(4-Aminophenyl)sulfonyl-5-(ethylamino)phenol
CID 286194
2-(4-Aminophenyl)sulfonyl-5-(propylamino)phenol
CID 298372
3-[4-(2-Methoxyethylsulfonyl)piperazin-1-yl]phenol
CID 75421901
3-[4-(3-Methoxypropylsulfonyl)piperazin-1-yl]phenol
CID 75424231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide (CID 107736844) is N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide?
The InChIKey is PCBBGWXTYQFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-15(11-5-3-6-12(16)9-11)19(17,18)13-7-4-8-14-10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide?
N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 107736844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).