2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide

C10H14Cl2N2O3S — CID 83178059

IUPAC2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-6(2-3-15)14-18(16,17)10-8(12)4-7(11)5-9(10)13/h4-6,14-15H,2-3,13H2,1H3
InChIKeyYVVRATPMGLVUAM-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.62
Rot. Bonds5

About 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 83178059) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID83178059
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-6(2-3-15)14-18(16,17)10-8(12)4-7(11)5-9(10)13/h4-6,14-15H,2-3,13H2,1H3
InChIKeyYVVRATPMGLVUAM-UHFFFAOYSA-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'}

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Related Compounds

2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 104935094
4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
2-amino-4,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755747
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide (CID 83178059) is 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide is CC(CCO)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is YVVRATPMGLVUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-6(2-3-15)14-18(16,17)10-8(12)4-7(11)5-9(10)13/h4-6,14-15H,2-3,13H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(4-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 2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 83178059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).