6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide

C17H13ClN6OS — CID 56510585

IUPAC6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C17H13ClN6OS/c1-26-17-21-22-23-24(17)13-4-2-3-12(9-13)19-16(25)15-7-10-5-6-11(18)8-14(10)20-15/h2-9,20H,1H3,(H,19,25)
InChIKeyKLUZGHPNQVFXHA-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.77
Rot. Bonds4

About 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide

6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 56510585) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID56510585
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C17H13ClN6OS/c1-26-17-21-22-23-24(17)13-4-2-3-12(9-13)19-16(25)15-7-10-5-6-11(18)8-14(10)20-15/h2-9,20H,1H3,(H,19,25)
InChIKeyKLUZGHPNQVFXHA-UHFFFAOYSA-N
XLogP3.77
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55609025
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide (CID 56510585) is 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide is CSc1nnnn1-c1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is KLUZGHPNQVFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c1-26-17-21-22-23-24(17)13-4-2-3-12(9-13)19-16(25)15-7-10-5-6-11(18)8-14(10)20-15/h2-9,20H,1H3,(H,19,25).
What are the key properties of 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56510585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).