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

C22H19ClN6O3S — CID 1463812

IUPAC2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H19ClN6O3S/c1-15-6-10-17(11-7-15)24-21(30)14-29-26-22(25-28-29)19-4-2-3-5-20(19)27-33(31,32)18-12-8-16(23)9-13-18/h2-13,27H,14H2,1H3,(H,24,30)
InChIKeyPSYYEEIEJRLWCJ-UHFFFAOYSA-N
MW482.95 g/mol
LogP3.74
Rot. Bonds7

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

2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 1463812) has the molecular formula C22H19ClN6O3S and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID1463812
Molecular FormulaC22H19ClN6O3S
Molecular Weight482.95 g/mol
Exact Mass482.09
IUPAC Name2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H19ClN6O3S/c1-15-6-10-17(11-7-15)24-21(30)14-29-26-22(25-28-29)19-4-2-3-5-20(19)27-33(31,32)18-12-8-16(23)9-13-18/h2-13,27H,14H2,1H3,(H,24,30)
InChIKeyPSYYEEIEJRLWCJ-UHFFFAOYSA-N
XLogP3.74
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
CID 3744238
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 3192836
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 42016506

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide (CID 1463812) is 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is PSYYEEIEJRLWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O3S/c1-15-6-10-17(11-7-15)24-21(30)14-29-26-22(25-28-29)19-4-2-3-5-20(19)27-33(31,32)18-12-8-16(23)9-13-18/h2-13,27H,14H2,1H3,(H,24,30).
What are the key properties of 2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 482.95 g/mol, XLogP of 3.74, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 1463812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).