5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide

C13H21FN2O3S — CID 107197641

IUPAC5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)cc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C13H21FN2O3S/c1-10-8-11(14)12(15)9-13(10)20(18,19)16(2)6-4-3-5-7-17/h8-9,17H,3-7,15H2,1-2H3
InChIKeyNQUVHQAGATXHSQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.50
Rot. Bonds7

About 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide

5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 107197641) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
PubChem CID107197641
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)cc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C13H21FN2O3S/c1-10-8-11(14)12(15)9-13(10)20(18,19)16(2)6-4-3-5-7-17/h8-9,17H,3-7,15H2,1-2H3
InChIKeyNQUVHQAGATXHSQ-UHFFFAOYSA-N
XLogP1.50
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
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

3-amino-4-fluoro-N-(5-hydroxypentyl)-N,2,6-trimethylbenzenesulfonamide
CID 107326329
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913988
5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198947
4-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
CID 107197606
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide (CID 107197641) is 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide is Cc1cc(F)c(N)cc1S(=O)(=O)N(C)CCCCCO.
What is the InChIKey of 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is NQUVHQAGATXHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-10-8-11(14)12(15)9-13(10)20(18,19)16(2)6-4-3-5-7-17/h8-9,17H,3-7,15H2,1-2H3.
What are the key properties of 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 107197641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).