N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide

C16H14ClN5O3S — CID 27452404

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O3S/c1-26(24,25)14-5-3-2-4-13(14)16(23)18-10-15-19-20-21-22(15)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyYUWQBFSEMHZPFR-UHFFFAOYSA-N
MW391.84 g/mol
LogP1.65
Rot. Bonds5

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide (PubChem CID 27452404) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
PubChem CID27452404
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O3S/c1-26(24,25)14-5-3-2-4-13(14)16(23)18-10-15-19-20-21-22(15)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyYUWQBFSEMHZPFR-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
CID 18565743
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
CID 16799154
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
CID 56504121
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide (CID 27452404) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
The InChIKey is YUWQBFSEMHZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c1-26(24,25)14-5-3-2-4-13(14)16(23)18-10-15-19-20-21-22(15)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide has a molecular weight of 391.84 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 27452404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).