N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide

C17H11ClN4OS — CID 1335787

IUPACN-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cccs1
InChIInChI=1S/C17H11ClN4OS/c18-11-3-6-13(7-4-11)22-20-14-8-5-12(10-15(14)21-22)19-17(23)16-2-1-9-24-16/h1-10H,(H,19,23)
InChIKeyOYJZWIDKOBTCFM-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.39
Rot. Bonds3

About N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide

N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide (PubChem CID 1335787) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide
PubChem CID1335787
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cccs1
InChIInChI=1S/C17H11ClN4OS/c18-11-3-6-13(7-4-11)22-20-14-8-5-12(10-15(14)21-22)19-17(23)16-2-1-9-24-16/h1-10H,(H,19,23)
InChIKeyOYJZWIDKOBTCFM-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide (CID 1335787) is N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide is O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cccs1.
What is the InChIKey of N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
The InChIKey is OYJZWIDKOBTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-11-3-6-13(7-4-11)22-20-14-8-5-12(10-15(14)21-22)19-17(23)16-2-1-9-24-16/h1-10H,(H,19,23).
What are the key properties of N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide?
N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)benzotriazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1335787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).