4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide

C11H16BrNO4S — CID 113317285

IUPAC4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO4S/c1-17-9-7-13(6-8-14)18(15,16)11-4-2-10(12)3-5-11/h2-5,14H,6-9H2,1H3
InChIKeyDNGVVXMQXGMENH-UHFFFAOYSA-N
MW338.22 g/mol
LogP1.08
Rot. Bonds7

About 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide

4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 113317285) has the molecular formula C11H16BrNO4S and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID113317285
Molecular FormulaC11H16BrNO4S
Molecular Weight338.22 g/mol
Exact Mass337.00
IUPAC Name4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO4S/c1-17-9-7-13(6-8-14)18(15,16)11-4-2-10(12)3-5-11/h2-5,14H,6-9H2,1H3
InChIKeyDNGVVXMQXGMENH-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
4-bromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylbenzenesulfonamide
CID 114263617
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-amino-3,5-dibromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 54465252
(2R,4R)-4-(4-bromophenyl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760468
2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
CID 113317287

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 113317285) is 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCN(CCO)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is DNGVVXMQXGMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S/c1-17-9-7-13(6-8-14)18(15,16)11-4-2-10(12)3-5-11/h2-5,14H,6-9H2,1H3.
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 338.22 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 113317285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).