N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide

C12H19NO3S — CID 43845575

IUPACN-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)O)cc1C
InChIInChI=1S/C12H19NO3S/c1-8-5-10(3)12(6-9(8)2)17(15,16)13-7-11(4)14/h5-6,11,13-14H,7H2,1-4H3
InChIKeyJSSODTJOZAYUEM-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.27
Rot. Bonds4

About N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide

N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide (PubChem CID 43845575) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
PubChem CID43845575
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)O)cc1C
InChIInChI=1S/C12H19NO3S/c1-8-5-10(3)12(6-9(8)2)17(15,16)13-7-11(4)14/h5-6,11,13-14H,7H2,1-4H3
InChIKeyJSSODTJOZAYUEM-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide (CID 43845575) is N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(C)O)cc1C.
What is the InChIKey of N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is JSSODTJOZAYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8-5-10(3)12(6-9(8)2)17(15,16)13-7-11(4)14/h5-6,11,13-14H,7H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide?
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 43845575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).