4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H14Cl2N2O3S — CID 93081169

IUPAC4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-2-7(5-15)14-18(16,17)10-8(11)3-6(13)4-9(10)12/h3-4,7,14-15H,2,5,13H2,1H3/t7-/m0/s1
InChIKeyYOUYMFMFHWBZNX-ZETCQYMHSA-N
MW313.21 g/mol
LogP1.62
Rot. Bonds5

About 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 93081169) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID93081169
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-2-7(5-15)14-18(16,17)10-8(11)3-6(13)4-9(10)12/h3-4,7,14-15H,2,5,13H2,1H3/t7-/m0/s1
InChIKeyYOUYMFMFHWBZNX-ZETCQYMHSA-N
XLogP1.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide 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

4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 107213648
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458
4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 97310075
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 42034386
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 93081169) is 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is YOUYMFMFHWBZNX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-2-7(5-15)14-18(16,17)10-8(11)3-6(13)4-9(10)12/h3-4,7,14-15H,2,5,13H2,1H3/t7-/m0/s1.
What are the key properties of 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 313.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93081169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).