N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide

C13H20ClNO3S — CID 162716344

IUPACN-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)c(CCO)cc1Cl
InChIInChI=1S/C13H20ClNO3S/c1-9-7-12(10(5-6-16)8-11(9)14)19(17,18)15-13(2,3)4/h7-8,15-16H,5-6H2,1-4H3
InChIKeyNWENSFNPRWFJAA-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.26
Rot. Bonds4

About N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide

N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide (PubChem CID 162716344) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide
PubChem CID162716344
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC NameN-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)c(CCO)cc1Cl
InChIInChI=1S/C13H20ClNO3S/c1-9-7-12(10(5-6-16)8-11(9)14)19(17,18)15-13(2,3)4/h7-8,15-16H,5-6H2,1-4H3
InChIKeyNWENSFNPRWFJAA-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide (CID 162716344) is N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)C)c(CCO)cc1Cl.
What is the InChIKey of N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
The InChIKey is NWENSFNPRWFJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-9-7-12(10(5-6-16)8-11(9)14)19(17,18)15-13(2,3)4/h7-8,15-16H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-2-(2-hydroxyethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 162716344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).