3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide

C11H16BrNO3S — CID 3702166

IUPAC3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-9(2)13(6-7-14)17(15,16)11-5-3-4-10(12)8-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyGRNDFWBMGZLZLK-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.84
Rot. Bonds5

About 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide

3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 3702166) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID3702166
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-9(2)13(6-7-14)17(15,16)11-5-3-4-10(12)8-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyGRNDFWBMGZLZLK-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 163201385
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
3-amino-4-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577710
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide
CID 24759242
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
3-[(3-bromophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009872
3-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 54999331
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 3702166) is 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CCO)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GRNDFWBMGZLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-9(2)13(6-7-14)17(15,16)11-5-3-4-10(12)8-11/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3702166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).