N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide

C12H19NO4S — CID 65034163

IUPACN-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)CO)cc1C
InChIInChI=1S/C12H19NO4S/c1-9(8-14)7-13-18(15,16)11-4-5-12(17-3)10(2)6-11/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyWBFBFWSSYRVDHI-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.91
Rot. Bonds6

About N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide

N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 65034163) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID65034163
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)CO)cc1C
InChIInChI=1S/C12H19NO4S/c1-9(8-14)7-13-18(15,16)11-4-5-12(17-3)10(2)6-11/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyWBFBFWSSYRVDHI-UHFFFAOYSA-N
XLogP0.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide (CID 65034163) is N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)CO)cc1C.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is WBFBFWSSYRVDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9(8-14)7-13-18(15,16)11-4-5-12(17-3)10(2)6-11/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 65034163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).