1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene

C14H17N3O3S — CID 43742050

IUPAC1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
SMILESCC(Nc1cccc(NS(N)(=O)=O)c1)c1cccc(O)c1
InChIInChI=1S/C14H17N3O3S/c1-10(11-4-2-7-14(18)8-11)16-12-5-3-6-13(9-12)17-21(15,19)20/h2-10,16-18H,1H3,(H2,15,19,20)
InChIKeyXPQZRSFUFKCGAO-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.18
Rot. Bonds5

About 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene

1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene (PubChem CID 43742050) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene.

Molecular Properties

Compound Name1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
PubChem CID43742050
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
SMILESCC(Nc1cccc(NS(N)(=O)=O)c1)c1cccc(O)c1
InChIInChI=1S/C14H17N3O3S/c1-10(11-4-2-7-14(18)8-11)16-12-5-3-6-13(9-12)17-21(15,19)20/h2-10,16-18H,1H3,(H2,15,19,20)
InChIKeyXPQZRSFUFKCGAO-UHFFFAOYSA-N
XLogP2.18
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
CID 43742023
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
2-hydroxy-5-[[2-[1-(3-hydroxyphenyl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide
CID 73173469
1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
CID 43744418
3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene?
The IUPAC name of 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene (CID 43742050) is 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene.
What is the SMILES notation for 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene?
The canonical SMILES for 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene is CC(Nc1cccc(NS(N)(=O)=O)c1)c1cccc(O)c1.
What is the InChIKey of 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene?
The InChIKey is XPQZRSFUFKCGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10(11-4-2-7-14(18)8-11)16-12-5-3-6-13(9-12)17-21(15,19)20/h2-10,16-18H,1H3,(H2,15,19,20).
What are the key properties of 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene?
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene has a molecular weight of 307.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene is sourced from PubChem (CID 43742050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).