2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C11H16ClNO3S — CID 65114109

IUPAC2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)c(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c1-8-4-5-10(9(12)6-8)17(15,16)13-7-11(2,3)14/h4-6,13-14H,7H2,1-3H3
InChIKeyDKSCHMRGAQGRFQ-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.70
Rot. Bonds4

About 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 65114109) 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)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID65114109
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)c(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c1-8-4-5-10(9(12)6-8)17(15,16)13-7-11(2,3)14/h4-6,13-14H,7H2,1-3H3
InChIKeyDKSCHMRGAQGRFQ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 65114109) is 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)O)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is DKSCHMRGAQGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8-4-5-10(9(12)6-8)17(15,16)13-7-11(2,3)14/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 65114109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).