N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide

C17H16ClN5O3S2 — CID 43023545

IUPACN-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H16ClN5O3S2/c1-11(16(24)12-3-7-14(8-4-12)20-28(2,25)26)27-17-19-21-22-23(17)15-9-5-13(18)6-10-15/h3-11,20H,1-2H3
InChIKeyMJGHCPRHUYBOJU-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.05
Rot. Bonds7

About N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide

N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide (PubChem CID 43023545) has the molecular formula C17H16ClN5O3S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
PubChem CID43023545
Molecular FormulaC17H16ClN5O3S2
Molecular Weight437.93 g/mol
Exact Mass437.04
IUPAC NameN-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H16ClN5O3S2/c1-11(16(24)12-3-7-14(8-4-12)20-28(2,25)26)27-17-19-21-22-23(17)15-9-5-13(18)6-10-15/h3-11,20H,1-2H3
InChIKeyMJGHCPRHUYBOJU-UHFFFAOYSA-N
XLogP3.05
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]acetamide
CID 112780355
N-[4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
CID 18207981
N-(4-acetylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42963660
(2S)-1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7863785
(2R)-1-(4-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8521893
N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
CID 46805926
(2S)-1-(3-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 2121300
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-chlorophenyl)propan-1-one
CID 46638786
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 16560324
1-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 51140165
(2R)-1-(4-ethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407742
N-[4-[(2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide
CID 40942880

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide (CID 43023545) is N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide is CC(Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide?
The InChIKey is MJGHCPRHUYBOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3S2/c1-11(16(24)12-3-7-14(8-4-12)20-28(2,25)26)27-17-19-21-22-23(17)15-9-5-13(18)6-10-15/h3-11,20H,1-2H3.
What are the key properties of N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide?
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide has a molecular weight of 437.93 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 43023545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).