3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide

C12H18FNO4S — CID 43574658

IUPAC3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1F
InChIInChI=1S/C12H18FNO4S/c1-9(2)14(6-7-15)19(16,17)10-4-5-12(18-3)11(13)8-10/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyISNYCZPSQJCBEO-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.23
Rot. Bonds6

About 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide

3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 43574658) has the molecular formula C12H18FNO4S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID43574658
Molecular FormulaC12H18FNO4S
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1F
InChIInChI=1S/C12H18FNO4S/c1-9(2)14(6-7-15)19(16,17)10-4-5-12(18-3)11(13)8-10/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyISNYCZPSQJCBEO-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
3-amino-4-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577710
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100541348
2-[tert-butyl-(3-fluoro-4-methoxyphenyl)sulfonylamino]acetic acid
CID 79262278
2-(4-bromo-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100542408

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide (CID 43574658) is 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ISNYCZPSQJCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO4S/c1-9(2)14(6-7-15)19(16,17)10-4-5-12(18-3)11(13)8-10/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide?
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43574658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).