N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H9BrClN5OS — CID 980218

IUPACN-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H9BrClN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyISVBGRIGVPAJCI-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.36
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 980218) has the molecular formula C10H9BrClN5OS and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID980218
Molecular FormulaC10H9BrClN5OS
Molecular Weight362.64 g/mol
Exact Mass360.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H9BrClN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyISVBGRIGVPAJCI-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 901004
N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 864606
N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2355094
N-(2-bromophenyl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 3913887
N-(4-bromophenyl)-2-[(1-ethyl-1H-tetrazol-5-yl)thio]acetamide
CID 704448
N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 2927291
N-(3-chloro-4-fluorophenyl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 670583
N-(2,4-dichlorophenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 851603
2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 11510119
N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1317780
N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2162589
N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2352686

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 980218) is N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ISVBGRIGVPAJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 362.64 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 980218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).