2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide

C10H16N2O3S2 — CID 79462801

IUPAC2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide
SMILESCC(CCO)Sc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N2O3S2/c1-7(4-5-13)16-8-2-3-10(9(11)6-8)17(12,14)15/h2-3,6-7,13H,4-5,11H2,1H3,(H2,12,14,15)
InChIKeyUTEMGIKWMKRMMN-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide

2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide (PubChem CID 79462801) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide
PubChem CID79462801
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide
SMILESCC(CCO)Sc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N2O3S2/c1-7(4-5-13)16-8-2-3-10(9(11)6-8)17(12,14)15/h2-3,6-7,13H,4-5,11H2,1H3,(H2,12,14,15)
InChIKeyUTEMGIKWMKRMMN-UHFFFAOYSA-N
XLogP0.78
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-methylbutylsulfanyl)benzenesulfonamide
CID 107748086
3-amino-5-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide
CID 66103691
3-(4-propylsulfonylphenyl)sulfanylbutan-1-ol
CID 66138300
4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N-methylbenzenesulfonamide
CID 82901625
4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbenzenesulfonamide
CID 82901550
3-[4-(1-hydroxyethyl)phenyl]sulfanylbutan-1-ol
CID 66136878
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
3-(4-nitro-3-propan-2-yloxyphenyl)sulfanylbutan-1-ol
CID 83013490
methyl 3-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzoate
CID 66136835
3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
CID 66103687
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
2-amino-4-pentan-2-yloxybenzenesulfonamide
CID 102980405

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide (CID 79462801) is 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide is CC(CCO)Sc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is UTEMGIKWMKRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-7(4-5-13)16-8-2-3-10(9(11)6-8)17(12,14)15/h2-3,6-7,13H,4-5,11H2,1H3,(H2,12,14,15).
What are the key properties of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide?
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 79462801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).