2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide

C12H18ClFN2O3S — CID 103838118

IUPAC2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O3S/c1-12(17,8-16(2)3)7-15-20(18,19)11-5-4-9(14)6-10(11)13/h4-6,15,17H,7-8H2,1-3H3
InChIKeyPWDCEDMLBHLFOD-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.07
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide (PubChem CID 103838118) has the molecular formula C12H18ClFN2O3S and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
PubChem CID103838118
Molecular FormulaC12H18ClFN2O3S
Molecular Weight324.81 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O3S/c1-12(17,8-16(2)3)7-15-20(18,19)11-5-4-9(14)6-10(11)13/h4-6,15,17H,7-8H2,1-3H3
InChIKeyPWDCEDMLBHLFOD-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140330
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
CID 9236304
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 114384009
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904335
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide (CID 103838118) is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide?
The InChIKey is PWDCEDMLBHLFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O3S/c1-12(17,8-16(2)3)7-15-20(18,19)11-5-4-9(14)6-10(11)13/h4-6,15,17H,7-8H2,1-3H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide?
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide has a molecular weight of 324.81 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 103838118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).