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

C11H16BrNO3S — CID 54878608

IUPAC2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO3S/c1-3-13(6-7-14)17(15,16)11-5-4-9(2)8-10(11)12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyMUAGASKCQCMCSI-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.76
Rot. Bonds5

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

2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 54878608) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID54878608
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO3S/c1-3-13(6-7-14)17(15,16)11-5-4-9(2)8-10(11)12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyMUAGASKCQCMCSI-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46457629
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 54878608) is 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is MUAGASKCQCMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-13(6-7-14)17(15,16)11-5-4-9(2)8-10(11)12/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 54878608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).