N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide

C20H28N2O3S — CID 10317422

IUPACN-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCCN(O)Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H28N2O3S/c1-18(2)16-22(26(24,25)20-12-7-4-8-13-20)15-9-14-21(23)17-19-10-5-3-6-11-19/h3-8,10-13,18,23H,9,14-17H2,1-2H3
InChIKeyKRUNACINGUOASO-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.61
Rot. Bonds10

About N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide

N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 10317422) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID10317422
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCCN(O)Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H28N2O3S/c1-18(2)16-22(26(24,25)20-12-7-4-8-13-20)15-9-14-21(23)17-19-10-5-3-6-11-19/h3-8,10-13,18,23H,9,14-17H2,1-2H3
InChIKeyKRUNACINGUOASO-UHFFFAOYSA-N
XLogP3.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[benzenesulfonyl(2-methylpropyl)amino]propylcarbamic acid
CID 142959686
N-[(2S,3S)-2-hydroxy-3-methyl-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 59054870
4-[4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl]benzoic acid
CID 157022700
N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
CID 162407437
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-[benzenesulfonyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326496
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide (CID 10317422) is N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CCCN(O)Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is KRUNACINGUOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-18(2)16-22(26(24,25)20-12-7-4-8-13-20)15-9-14-21(23)17-19-10-5-3-6-11-19/h3-8,10-13,18,23H,9,14-17H2,1-2H3.
What are the key properties of N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide?
N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 10317422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).