2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide

C16H14ClN5O3S — CID 55679296

IUPAC2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1cccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN5O3S/c1-11-19-20-21-22(11)14-4-2-3-13(9-14)18-16(23)10-26(24,25)15-7-5-12(17)6-8-15/h2-9H,10H2,1H3,(H,18,23)
InChIKeyPMWUMBPFAXBVSX-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 55679296) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID55679296
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1cccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN5O3S/c1-11-19-20-21-22(11)14-4-2-3-13(9-14)18-16(23)10-26(24,25)15-7-5-12(17)6-8-15/h2-9H,10H2,1H3,(H,18,23)
InChIKeyPMWUMBPFAXBVSX-UHFFFAOYSA-N
XLogP2.04
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 131914850
2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55676966
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 55679296) is 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1nnnn1-c1cccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is PMWUMBPFAXBVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c1-11-19-20-21-22(11)14-4-2-3-13(9-14)18-16(23)10-26(24,25)15-7-5-12(17)6-8-15/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 391.84 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).