2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide

C12H19FN2O3S — CID 106153098

IUPAC2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
SMILESCC(CO)CCCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O3S/c1-9(8-16)3-2-6-15-19(17,18)12-5-4-10(13)7-11(12)14/h4-5,7,9,15-16H,2-3,6,8,14H2,1H3
InChIKeyUYWDTBPBYULMPG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.09
Rot. Bonds7

About 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide

2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide (PubChem CID 106153098) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
PubChem CID106153098
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
SMILESCC(CO)CCCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O3S/c1-9(8-16)3-2-6-15-19(17,18)12-5-4-10(13)7-11(12)14/h4-5,7,9,15-16H,2-3,6,8,14H2,1H3
InChIKeyUYWDTBPBYULMPG-UHFFFAOYSA-N
XLogP1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
2-amino-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 106308765
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide (CID 106153098) is 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide is CC(CO)CCCNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide?
The InChIKey is UYWDTBPBYULMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-9(8-16)3-2-6-15-19(17,18)12-5-4-10(13)7-11(12)14/h4-5,7,9,15-16H,2-3,6,8,14H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide?
2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 106153098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).