N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H10Cl2N6O3S2 — CID 2456584

IUPACN-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H10Cl2N6O3S2/c1-18-10(15-16-17-18)22-4-8(19)14-9-6(11)2-5(3-7(9)12)23(13,20)21/h2-3H,4H2,1H3,(H,14,19)(H2,13,20,21)
InChIKeyKJQQCHRAHBDLIS-UHFFFAOYSA-N
MW397.27 g/mol
LogP0.90
Rot. Bonds5

About N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2456584) has the molecular formula C10H10Cl2N6O3S2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2456584
Molecular FormulaC10H10Cl2N6O3S2
Molecular Weight397.27 g/mol
Exact Mass395.96
IUPAC NameN-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H10Cl2N6O3S2/c1-18-10(15-16-17-18)22-4-8(19)14-9-6(11)2-5(3-7(9)12)23(13,20)21/h2-3H,4H2,1H3,(H,14,19)(H2,13,20,21)
InChIKeyKJQQCHRAHBDLIS-UHFFFAOYSA-N
XLogP0.90
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4315777
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838513
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4086709
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1140739
2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 1301816
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1295863
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8007009
N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3507581
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 60539641

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2456584) is N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KJQQCHRAHBDLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N6O3S2/c1-18-10(15-16-17-18)22-4-8(19)14-9-6(11)2-5(3-7(9)12)23(13,20)21/h2-3H,4H2,1H3,(H,14,19)(H2,13,20,21).
What are the key properties of N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 397.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2456584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).