4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide

C11H16ClNO3S — CID 3465021

IUPAC4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)O)c(C)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-7-5-11(8(2)4-10(7)12)17(15,16)13-6-9(3)14/h4-5,9,13-14H,6H2,1-3H3
InChIKeyMLYKAFKVGDLBAR-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.62
Rot. Bonds4

About 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 3465021) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
PubChem CID3465021
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)O)c(C)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-7-5-11(8(2)4-10(7)12)17(15,16)13-6-9(3)14/h4-5,9,13-14H,6H2,1-3H3
InChIKeyMLYKAFKVGDLBAR-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
CID 19681669
4-chloro-2,5-dimethylbenzenesulfonohydrazide
CID 2799465
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide (CID 3465021) is 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)O)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is MLYKAFKVGDLBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-7-5-11(8(2)4-10(7)12)17(15,16)13-6-9(3)14/h4-5,9,13-14H,6H2,1-3H3.
What are the key properties of 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3465021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).