2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide

C11H18N2O3S — CID 113375971

IUPAC2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O3S/c1-8(7-9(2)14)13-17(15,16)11-6-4-3-5-10(11)12/h3-6,8-9,13-14H,7,12H2,1-2H3
InChIKeyXYNIVHZBPCGMJB-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.71
Rot. Bonds5

About 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide

2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide (PubChem CID 113375971) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
PubChem CID113375971
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O3S/c1-8(7-9(2)14)13-17(15,16)11-6-4-3-5-10(11)12/h3-6,8-9,13-14H,7,12H2,1-2H3
InChIKeyXYNIVHZBPCGMJB-UHFFFAOYSA-N
XLogP0.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.71
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

4-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 456364
4-amino-N-(4-hydroxycyclohexyl)benzene-1-sulfonamide
CID 252545
4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide
CID 59446956
4-amino-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide
CID 5019568
2-Amino-N-decylbenzenesulfonamide
CID 118410
4-amino-N-(2-hydroxypropyl)benzenesulfonamide
CID 252536
2-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 458781
3-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 458782
2-(3-Propan-2-yloxypropylamino)benzenesulfonamide
CID 126816070
N-Cyclohexyl 2-aminobenzenesulfonamide
CID 1132834
N-(4-hydroxycyclohexyl)-2-nitrobenzenesulfonamide
CID 43389435
N-[2-(hydroxymethyl)pent-4-enyl]-2-nitrobenzenesulfonamide
CID 164665720

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide (CID 113375971) is 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide is CC(O)CC(C)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The InChIKey is XYNIVHZBPCGMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(7-9(2)14)13-17(15,16)11-6-4-3-5-10(11)12/h3-6,8-9,13-14H,7,12H2,1-2H3.
What are the key properties of 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113375971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).