N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide

C14H24N2O4S — CID 64541271

IUPACN-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCC(N)C(C)O)cc1
InChIInChI=1S/C14H24N2O4S/c1-10(2)9-20-12-4-6-13(7-5-12)21(18,19)16-8-14(15)11(3)17/h4-7,10-11,14,16-17H,8-9,15H2,1-3H3
InChIKeyDCFQTSRZXURPIH-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.71
Rot. Bonds8

About N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide

N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 64541271) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID64541271
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCC(N)C(C)O)cc1
InChIInChI=1S/C14H24N2O4S/c1-10(2)9-20-12-4-6-13(7-5-12)21(18,19)16-8-14(15)11(3)17/h4-7,10-11,14,16-17H,8-9,15H2,1-3H3
InChIKeyDCFQTSRZXURPIH-UHFFFAOYSA-N
XLogP0.71
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
CID 64540425
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90580902
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
(2S)-3-hydroxy-2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 61143433

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide (CID 64541271) is N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NCC(N)C(C)O)cc1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is DCFQTSRZXURPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10(2)9-20-12-4-6-13(7-5-12)21(18,19)16-8-14(15)11(3)17/h4-7,10-11,14,16-17H,8-9,15H2,1-3H3.
What are the key properties of N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 64541271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).