5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane

C45H42Cl3F18N3O9S6 — CID 158770932

IUPAC5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane
SMILESC.C.C.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)sc1Cl.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1csc(Cl)c1
InChIInChI=1S/C14H9Cl2F6NO3S2.C14H10ClF6NO3S2.C14H11F6NO3S2.3CH4/c1-23(28(25,26)9-6-10(15)27-11(9)16)8-4-2-7(3-5-8)12(24,13(17,18)19)14(20,21)22;1-22(27(24,25)10-6-11(15)26-7-10)9-4-2-8(3-5-9)12(23,13(16,17)18)14(19,20)21;1-21(26(23,24)11-3-2-8-25-11)10-6-4-9(5-7-10)12(22,13(15,16)17)14(18,19)20;;;/h2-6,24H,1H3;2-7,23H,1H3;2-8,22H,1H3;3*1H4
InChIKeyIPVWOOMHDKYBQU-UHFFFAOYSA-N
MW1409.57 g/mol
LogP15.52
Rot. Bonds12

About 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane

5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane (PubChem CID 158770932) has the molecular formula C45H42Cl3F18N3O9S6 and a molecular weight of 1409.57 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane.

Molecular Properties

Compound Name5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane
PubChem CID158770932
Molecular FormulaC45H42Cl3F18N3O9S6
Molecular Weight1409.57 g/mol
Exact Mass1407.00
IUPAC Name5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane
SMILESC.C.C.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)sc1Cl.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1csc(Cl)c1
InChIInChI=1S/C14H9Cl2F6NO3S2.C14H10ClF6NO3S2.C14H11F6NO3S2.3CH4/c1-23(28(25,26)9-6-10(15)27-11(9)16)8-4-2-7(3-5-8)12(24,13(17,18)19)14(20,21)22;1-22(27(24,25)10-6-11(15)26-7-10)9-4-2-8(3-5-9)12(23,13(16,17)18)14(19,20)21;1-21(26(23,24)11-3-2-8-25-11)10-6-4-9(5-7-10)12(22,13(15,16)17)14(18,19)20;;;/h2-6,24H,1H3;2-7,23H,1H3;2-8,22H,1H3;3*1H4
InChIKeyIPVWOOMHDKYBQU-UHFFFAOYSA-N
XLogP15.52
TPSA172.83 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.57
LogP ≤ 515.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane with MolForge

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Related Compounds

2,5-dichloro-N-methyl-N-[4-(1,1,1-trifluoro-2-hydroxy-4-phenylbut-3-en-2-yl)phenyl]thiophene-3-sulfonamide
CID 70035549
4-bromo-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704088
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmethanesulfonamide
CID 10154925
N-[2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704115
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 162577615
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
CID 2360837
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
CID 103100118
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-N-methylbenzenesulfonamide
CID 142017251
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 99956135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane?
The IUPAC name of 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane (CID 158770932) is 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane.
What is the SMILES notation for 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane?
The canonical SMILES for 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane is C.C.C.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)sc1Cl.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1.CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1csc(Cl)c1.
What is the InChIKey of 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane?
The InChIKey is IPVWOOMHDKYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F6NO3S2.C14H10ClF6NO3S2.C14H11F6NO3S2.3CH4/c1-23(28(25,26)9-6-10(15)27-11(9)16)8-4-2-7(3-5-8)12(24,13(17,18)19)14(20,21)22;1-22(27(24,25)10-6-11(15)26-7-10)9-4-2-8(3-5-9)12(23,13(16,17)18)14(19,20)21;1-21(26(23,24)11-3-2-8-25-11)10-6-4-9(5-7-10)12(22,13(15,16)17)14(18,19)20;;;/h2-6,24H,1H3;2-7,23H,1H3;2-8,22H,1H3;3*1H4.
What are the key properties of 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane?
5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane has a molecular weight of 1409.57 g/mol, XLogP of 15.52, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;2,5-dichloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-3-sulfonamide;N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylthiophene-2-sulfonamide;methane is sourced from PubChem (CID 158770932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).