2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide

C20H21ClN6O3S — CID 3744238

IUPAC2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CCCC1
InChIInChI=1S/C20H21ClN6O3S/c21-14-9-11-16(12-10-14)31(29,30)25-18-8-4-3-7-17(18)20-23-26-27(24-20)13-19(28)22-15-5-1-2-6-15/h3-4,7-12,15,25H,1-2,5-6,13H2,(H,22,28)
InChIKeyWXYFXDRYEXWDLA-UHFFFAOYSA-N
MW460.95 g/mol
LogP2.85
Rot. Bonds7

About 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide

2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide (PubChem CID 3744238) has the molecular formula C20H21ClN6O3S and a molecular weight of 460.95 g/mol. Its IUPAC name is 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
PubChem CID3744238
Molecular FormulaC20H21ClN6O3S
Molecular Weight460.95 g/mol
Exact Mass460.11
IUPAC Name2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CCCC1
InChIInChI=1S/C20H21ClN6O3S/c21-14-9-11-16(12-10-14)31(29,30)25-18-8-4-3-7-17(18)20-23-26-27(24-20)13-19(28)22-15-5-1-2-6-15/h3-4,7-12,15,25H,1-2,5-6,13H2,(H,22,28)
InChIKeyWXYFXDRYEXWDLA-UHFFFAOYSA-N
XLogP2.85
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.95
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 3192836
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1463812
N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 3744341
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678264
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide (CID 3744238) is 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide is O=C(Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CCCC1.
What is the InChIKey of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide?
The InChIKey is WXYFXDRYEXWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3S/c21-14-9-11-16(12-10-14)31(29,30)25-18-8-4-3-7-17(18)20-23-26-27(24-20)13-19(28)22-15-5-1-2-6-15/h3-4,7-12,15,25H,1-2,5-6,13H2,(H,22,28).
What are the key properties of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide?
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide has a molecular weight of 460.95 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 3744238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).