N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide

C16H13F2NO3S2 — CID 91630883

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)c1csc2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO3S2/c17-12-5-3-6-13(18)16(12)24(21,22)19-8-14(20)11-9-23-15-7-2-1-4-10(11)15/h1-7,9,14,19-20H,8H2
InChIKeyQWMIWCHAKQYBQC-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 91630883) has the molecular formula C16H13F2NO3S2 and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide
PubChem CID91630883
Molecular FormulaC16H13F2NO3S2
Molecular Weight369.41 g/mol
Exact Mass369.03
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)c1csc2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO3S2/c17-12-5-3-6-13(18)16(12)24(21,22)19-8-14(20)11-9-23-15-7-2-1-4-10(11)15/h1-7,9,14,19-20H,8H2
InChIKeyQWMIWCHAKQYBQC-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5-methylthiophene-2-sulfonamide
CID 56765475
4-fluoro-N-({5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl}methyl)-2-methylbenzene-1-sulfonamide
CID 71804671
2-[2-(Dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723
2-[2-[[Ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene
CID 84589582
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 91630898
(S)-1,1,1-trifluoro-2-phenyl-3-(2-thienylsulfonylamino)-2-propanol
CID 95376529
(S)-2-(1-benzothiophen-2-yl)-1-(o-fluorophenylsulfonylamino)-2-propanol
CID 99980328
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)thiophene-2-sulfonamide
CID 71787944
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-5-methylthiophene-2-sulfonamide
CID 86264006
(E)-N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-phenylethenesulfonamide
CID 86264007
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)cyclopropanesulfonamide
CID 91630875

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide (CID 91630883) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide is O=S(=O)(NCC(O)c1csc2ccccc12)c1c(F)cccc1F.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is QWMIWCHAKQYBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S2/c17-12-5-3-6-13(18)16(12)24(21,22)19-8-14(20)11-9-23-15-7-2-1-4-10(11)15/h1-7,9,14,19-20H,8H2.
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 91630883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).