1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene

C8H12N2O3S — CID 114959286

IUPAC1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
SMILESCC(O)c1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O3S/c1-6(11)7-3-2-4-8(5-7)10-14(9,12)13/h2-6,10-11H,1H3,(H2,9,12,13)
InChIKeyNEMXDELCFFNUGV-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.36
Rot. Bonds3

About 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene

1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene (PubChem CID 114959286) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
PubChem CID114959286
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
SMILESCC(O)c1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O3S/c1-6(11)7-3-2-4-8(5-7)10-14(9,12)13/h2-6,10-11H,1H3,(H2,9,12,13)
InChIKeyNEMXDELCFFNUGV-UHFFFAOYSA-N
XLogP0.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43508625
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 83059413
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
[3-(1-hydroxyethyl)phenyl]thiourea
CID 87682391
3-(sulfamoylamino)benzamide
CID 57051238
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene (CID 114959286) is 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene is CC(O)c1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene?
The InChIKey is NEMXDELCFFNUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-6(11)7-3-2-4-8(5-7)10-14(9,12)13/h2-6,10-11H,1H3,(H2,9,12,13).
What are the key properties of 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene?
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene has a molecular weight of 216.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 114959286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).