2-(4-hydroxybutan-2-ylamino)benzenesulfonamide

C10H16N2O3S — CID 83188457

IUPAC2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
SMILESCC(CCO)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8(6-7-13)12-9-4-2-3-5-10(9)16(11,14)15/h2-5,8,12-13H,6-7H2,1H3,(H2,11,14,15)
InChIKeyWETDUMVUBLDAFM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.52
Rot. Bonds5

About 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide

2-(4-hydroxybutan-2-ylamino)benzenesulfonamide (PubChem CID 83188457) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
PubChem CID83188457
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
SMILESCC(CCO)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8(6-7-13)12-9-4-2-3-5-10(9)16(11,14)15/h2-5,8,12-13H,6-7H2,1H3,(H2,11,14,15)
InChIKeyWETDUMVUBLDAFM-UHFFFAOYSA-N
XLogP0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline
CID 61472578
N-(4-chlorobutan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 83187895
2-(1-aminohexan-2-ylamino)benzenesulfonamide
CID 80698405
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide (CID 83188457) is 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide is CC(CCO)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
The InChIKey is WETDUMVUBLDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(6-7-13)12-9-4-2-3-5-10(9)16(11,14)15/h2-5,8,12-13H,6-7H2,1H3,(H2,11,14,15).
What are the key properties of 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide?
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 83188457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).