2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide

C20H14ClFN4OS — CID 4566393

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4OS/c21-13-1-8-17(9-2-13)28-12-20(27)23-15-5-10-18-19(11-15)25-26(24-18)16-6-3-14(22)4-7-16/h1-11H,12H2,(H,23,27)
InChIKeyOIVBCHGJDPRVPA-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 4566393) has the molecular formula C20H14ClFN4OS and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
PubChem CID4566393
Molecular FormulaC20H14ClFN4OS
Molecular Weight412.88 g/mol
Exact Mass412.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4OS/c21-13-1-8-17(9-2-13)28-12-20(27)23-15-5-10-18-19(11-15)25-26(24-18)16-6-3-14(22)4-7-16/h1-11H,12H2,(H,23,27)
InChIKeyOIVBCHGJDPRVPA-UHFFFAOYSA-N
XLogP4.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 29093871
2-(4-chlorophenyl)sulfanyl-N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 4544621
N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
CID 163367302
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
CID 23848322
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
1-[2-(4-chlorophenyl)benzotriazol-5-yl]-3-methylthiourea
CID 163367313
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (CID 4566393) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is OIVBCHGJDPRVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4OS/c21-13-1-8-17(9-2-13)28-12-20(27)23-15-5-10-18-19(11-15)25-26(24-18)16-6-3-14(22)4-7-16/h1-11H,12H2,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 412.88 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 4566393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).