2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

C12H16BrNO3S — CID 43577567

IUPAC2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)C2CC2)c(Br)c1
InChIInChI=1S/C12H16BrNO3S/c1-9-2-5-12(11(13)8-9)18(16,17)14(6-7-15)10-3-4-10/h2,5,8,10,15H,3-4,6-7H2,1H3
InChIKeyIYUKDCXDUDHBHN-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.90
Rot. Bonds5

About 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 43577567) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID43577567
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)C2CC2)c(Br)c1
InChIInChI=1S/C12H16BrNO3S/c1-9-2-5-12(11(13)8-9)18(16,17)14(6-7-15)10-3-4-10/h2,5,8,10,15H,3-4,6-7H2,1H3
InChIKeyIYUKDCXDUDHBHN-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 43577567) is 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)C2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is IYUKDCXDUDHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-9-2-5-12(11(13)8-9)18(16,17)14(6-7-15)10-3-4-10/h2,5,8,10,15H,3-4,6-7H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43577567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).