2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide

C10H14BrNO3S — CID 60962319

IUPAC2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCO)c(Br)c1
InChIInChI=1S/C10H14BrNO3S/c1-8-3-4-10(9(11)7-8)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPTNLFCDKEVHOGT-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.37
Rot. Bonds4

About 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide

2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 60962319) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
PubChem CID60962319
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCO)c(Br)c1
InChIInChI=1S/C10H14BrNO3S/c1-8-3-4-10(9(11)7-8)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPTNLFCDKEVHOGT-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.37
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
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-N,4-dimethylbenzenesulfonamide
CID 54879955
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
CID 60765176
2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 21404251

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide (CID 60962319) is 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCO)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is PTNLFCDKEVHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-8-3-4-10(9(11)7-8)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide?
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 60962319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).