N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H19ClN6O3S2 — CID 4315777

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C14H19ClN6O3S2/c1-4-21(5-2)26(23,24)10-6-7-11(15)12(8-10)16-13(22)9-25-14-17-18-19-20(14)3/h6-8H,4-5,9H2,1-3H3,(H,16,22)
InChIKeyAQIATQLTECRFJL-UHFFFAOYSA-N
MW418.93 g/mol
LogP1.62
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4315777) has the molecular formula C14H19ClN6O3S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4315777
Molecular FormulaC14H19ClN6O3S2
Molecular Weight418.93 g/mol
Exact Mass418.06
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C14H19ClN6O3S2/c1-4-21(5-2)26(23,24)10-6-7-11(15)12(8-10)16-13(22)9-25-14-17-18-19-20(14)3/h6-8H,4-5,9H2,1-3H3,(H,16,22)
InChIKeyAQIATQLTECRFJL-UHFFFAOYSA-N
XLogP1.62
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 4549177
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4216270
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3583304
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2456584
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3901581
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 16542603
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3290352
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55696278
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4800764

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4315777) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2C)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is AQIATQLTECRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O3S2/c1-4-21(5-2)26(23,24)10-6-7-11(15)12(8-10)16-13(22)9-25-14-17-18-19-20(14)3/h6-8H,4-5,9H2,1-3H3,(H,16,22).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 418.93 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4315777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).