N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C22H16F3NO3S2 — CID 66907038

IUPACN-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C22H16F3NO3S2/c23-22(24,25)29-18-12-10-16(11-13-18)15-26(31(27,28)19-7-2-1-3-8-19)21-14-17-6-4-5-9-20(17)30-21/h1-14H,15H2
InChIKeyJCVSBHLXMQDTCO-UHFFFAOYSA-N
MW463.50 g/mol
LogP6.20
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 66907038) has the molecular formula C22H16F3NO3S2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID66907038
Molecular FormulaC22H16F3NO3S2
Molecular Weight463.50 g/mol
Exact Mass463.05
IUPAC NameN-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C22H16F3NO3S2/c23-22(24,25)29-18-12-10-16(11-13-18)15-26(31(27,28)19-7-2-1-3-8-19)21-14-17-6-4-5-9-20(17)30-21/h1-14H,15H2
InChIKeyJCVSBHLXMQDTCO-UHFFFAOYSA-N
XLogP6.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 66907038) is N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is JCVSBHLXMQDTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO3S2/c23-22(24,25)29-18-12-10-16(11-13-18)15-26(31(27,28)19-7-2-1-3-8-19)21-14-17-6-4-5-9-20(17)30-21/h1-14H,15H2.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 463.50 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 66907038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).