N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide

C11H16ClFN2O3S — CID 76587333

IUPACN-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNCCCC(CO)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O3S/c12-10-6-8(13)3-4-11(10)19(17,18)15-9(7-16)2-1-5-14/h3-4,6,9,15-16H,1-2,5,7,14H2
InChIKeyRIMBXSPBZXCLKI-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.86
Rot. Bonds7

About N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide

N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 76587333) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID76587333
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC NameN-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNCCCC(CO)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O3S/c12-10-6-8(13)3-4-11(10)19(17,18)15-9(7-16)2-1-5-14/h3-4,6,9,15-16H,1-2,5,7,14H2
InChIKeyRIMBXSPBZXCLKI-UHFFFAOYSA-N
XLogP0.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide (CID 76587333) is N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide is NCCCC(CO)NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is RIMBXSPBZXCLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c12-10-6-8(13)3-4-11(10)19(17,18)15-9(7-16)2-1-5-14/h3-4,6,9,15-16H,1-2,5,7,14H2.
What are the key properties of N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-hydroxypentan-2-yl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 76587333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).