2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

C11H16ClNO3S — CID 79387781

IUPAC2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-11(2,14)8-13(3)17(15,16)10-7-5-4-6-9(10)12/h4-7,14H,8H2,1-3H3
InChIKeyHYZGTUMWOHFRCU-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.73
Rot. Bonds4

About 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (PubChem CID 79387781) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
PubChem CID79387781
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-11(2,14)8-13(3)17(15,16)10-7-5-4-6-9(10)12/h4-7,14H,8H2,1-3H3
InChIKeyHYZGTUMWOHFRCU-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 79390718
2-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 103990035
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387697
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 79378408
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide
CID 115944505
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79381363
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 115330222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (CID 79387781) is 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is HYZGTUMWOHFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-11(2,14)8-13(3)17(15,16)10-7-5-4-6-9(10)12/h4-7,14H,8H2,1-3H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79387781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).