N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide

C13H9F5N2O3S — CID 15512246

IUPACN-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1N
InChIInChI=1S/C13H9F5N2O3S/c1-23-7-3-2-5(4-6(7)19)20-24(21,22)13-11(17)9(15)8(14)10(16)12(13)18/h2-4,20H,19H2,1H3
InChIKeyZALDJOGOCXZDSV-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.77
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide

N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 15512246) has the molecular formula C13H9F5N2O3S and a molecular weight of 368.28 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID15512246
Molecular FormulaC13H9F5N2O3S
Molecular Weight368.28 g/mol
Exact Mass368.03
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1N
InChIInChI=1S/C13H9F5N2O3S/c1-23-7-3-2-5(4-6(7)19)20-24(21,22)13-11(17)9(15)8(14)10(16)12(13)18/h2-4,20H,19H2,1H3
InChIKeyZALDJOGOCXZDSV-UHFFFAOYSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Batabulin
CID 216324
4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485020
1-Bromo-2,4,5,6-tetrafluoro-3-[(4-methoxyphenyl)aminosulfonyl]benzene
CID 15485021
3-Amino-N-(4-methoxyphenyl)benzenesulfonamide
CID 2756466
T-900607
CID 9812416
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683
Benzenesulfonamide, 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)-
CID 10473251

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 15512246) is N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is ZALDJOGOCXZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O3S/c1-23-7-3-2-5(4-6(7)19)20-24(21,22)13-11(17)9(15)8(14)10(16)12(13)18/h2-4,20H,19H2,1H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 368.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 15512246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).