N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide

C14H23NO3S — CID 65033964

IUPACN-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCC(C)CO)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)8-13-4-6-14(7-5-13)19(17,18)15-9-12(3)10-16/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyMOLHOTQTERGNNA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.79
Rot. Bonds7

About N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide

N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 65033964) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID65033964
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCC(C)CO)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)8-13-4-6-14(7-5-13)19(17,18)15-9-12(3)10-16/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyMOLHOTQTERGNNA-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
CID 115638682
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 65033956
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide (CID 65033964) is N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCC(C)CO)cc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is MOLHOTQTERGNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)8-13-4-6-14(7-5-13)19(17,18)15-9-12(3)10-16/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65033964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).