benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide

C20H15F6NO3S — CID 160690203

IUPACbenzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F.c1ccccc1
InChIInChI=1S/C14H9F6NO3S.C6H6/c1-21(6-3-4-8(24-2)7(15)5-6)25(22,23)14-12(19)10(17)9(16)11(18)13(14)20;1-2-4-6-5-3-1/h3-5H,1-2H3;1-6H
InChIKeyRPHQFRPNLZOZMT-UHFFFAOYSA-N
MW463.40 g/mol
LogP5.04
Rot. Bonds4

About benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide

benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 160690203) has the molecular formula C20H15F6NO3S and a molecular weight of 463.40 g/mol. Its IUPAC name is benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Namebenzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID160690203
Molecular FormulaC20H15F6NO3S
Molecular Weight463.40 g/mol
Exact Mass463.07
IUPAC Namebenzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F.c1ccccc1
InChIInChI=1S/C14H9F6NO3S.C6H6/c1-21(6-3-4-8(24-2)7(15)5-6)25(22,23)14-12(19)10(17)9(16)11(18)13(14)20;1-2-4-6-5-3-1/h3-5H,1-2H3;1-6H
InChIKeyRPHQFRPNLZOZMT-UHFFFAOYSA-N
XLogP5.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-tetrafluoro-N-(3-fluoro-4-methoxyphenyl)-6-phenoxy-N-prop-2-ynylbenzenesulfonamide
CID 155578235
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
2,3,4,5-tetrafluoro-N-(3-fluoro-4-methoxyphenyl)-6-(4-phenylmethoxyphenoxy)-N-prop-2-ynylbenzenesulfonamide
CID 155578444
2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 70112279
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
2,3,4,5-tetrafluoro-N-(3-fluoro-4-methoxyphenyl)-6-(4-methoxyphenoxy)-N-prop-2-ynylbenzenesulfonamide
CID 155578415
2-cyclopropyloxy-3,4,5,6-tetrafluoro-N-(3-fluoro-4-methoxyphenyl)-N-prop-2-ynylbenzenesulfonamide
CID 155578333
N-(3,4-dimethoxyphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189865
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
2-cyclopentyloxy-3,4,5,6-tetrafluoro-N-(3-fluoro-4-methoxyphenyl)-N-prop-2-ynylbenzenesulfonamide
CID 155578248

Frequently Asked Questions

What is the IUPAC name of benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 160690203) is benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F.c1ccccc1.
What is the InChIKey of benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is RPHQFRPNLZOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3S.C6H6/c1-21(6-3-4-8(24-2)7(15)5-6)25(22,23)14-12(19)10(17)9(16)11(18)13(14)20;1-2-4-6-5-3-1/h3-5H,1-2H3;1-6H.
What are the key properties of benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide?
benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 463.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 160690203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).