N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide

C12H19NO5S — CID 51860924

IUPACN-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC[C@@H](C)O)c(OC)cc1C
InChIInChI=1S/C12H19NO5S/c1-8-5-11(18-4)12(6-10(8)17-3)19(15,16)13-7-9(2)14/h5-6,9,13-14H,7H2,1-4H3/t9-/m1/s1
InChIKeyJKMMDLHQQFVCNI-SECBINFHSA-N
MW289.35 g/mol
LogP0.67
Rot. Bonds6

About N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide

N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide (PubChem CID 51860924) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
PubChem CID51860924
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC NameN-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC[C@@H](C)O)c(OC)cc1C
InChIInChI=1S/C12H19NO5S/c1-8-5-11(18-4)12(6-10(8)17-3)19(15,16)13-7-9(2)14/h5-6,9,13-14H,7H2,1-4H3/t9-/m1/s1
InChIKeyJKMMDLHQQFVCNI-SECBINFHSA-N
XLogP0.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide (CID 51860924) is N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide is COc1cc(S(=O)(=O)NC[C@@H](C)O)c(OC)cc1C.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide?
The InChIKey is JKMMDLHQQFVCNI-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-8-5-11(18-4)12(6-10(8)17-3)19(15,16)13-7-9(2)14/h5-6,9,13-14H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide?
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 51860924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).