N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide

C13H21NO3S — CID 50876433

IUPACN-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)O)c(C)c(C)c1C
InChIInChI=1S/C13H21NO3S/c1-8-6-13(12(5)11(4)10(8)3)18(16,17)14-7-9(2)15/h6,9,14-15H,7H2,1-5H3
InChIKeyQABKKORQGKCHSR-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.58
Rot. Bonds4

About N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide

N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide (PubChem CID 50876433) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
PubChem CID50876433
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)O)c(C)c(C)c1C
InChIInChI=1S/C13H21NO3S/c1-8-6-13(12(5)11(4)10(8)3)18(16,17)14-7-9(2)15/h6,9,14-15H,7H2,1-5H3
InChIKeyQABKKORQGKCHSR-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide (CID 50876433) is N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)O)c(C)c(C)c1C.
What is the InChIKey of N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide?
The InChIKey is QABKKORQGKCHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-8-6-13(12(5)11(4)10(8)3)18(16,17)14-7-9(2)15/h6,9,14-15H,7H2,1-5H3.
What are the key properties of N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide?
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide is sourced from PubChem (CID 50876433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).