5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline

C16H16FN5O2S — CID 47068674

IUPAC5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
SMILESCc1ccc(F)cc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16FN5O2S/c1-11-3-4-12(17)9-15(11)18-10-16-19-20-21-22(16)13-5-7-14(8-6-13)25(2,23)24/h3-9,18H,10H2,1-2H3
InChIKeyDILJYRSXGGVWEH-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.13
Rot. Bonds5

About 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline

5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline (PubChem CID 47068674) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
PubChem CID47068674
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
SMILESCc1ccc(F)cc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16FN5O2S/c1-11-3-4-12(17)9-15(11)18-10-16-19-20-21-22(16)13-5-7-14(8-6-13)25(2,23)24/h3-9,18H,10H2,1-2H3
InChIKeyDILJYRSXGGVWEH-UHFFFAOYSA-N
XLogP2.13
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
CID 47068669
2-chloro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55989209
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
CID 55988949
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
CID 56504121
4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline
CID 55988556
N,2,5-trimethyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068771
2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
CID 55989469
1-(3,4-dimethylphenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339747
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline (CID 47068674) is 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline is Cc1ccc(F)cc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline?
The InChIKey is DILJYRSXGGVWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-11-3-4-12(17)9-15(11)18-10-16-19-20-21-22(16)13-5-7-14(8-6-13)25(2,23)24/h3-9,18H,10H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline?
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline has a molecular weight of 361.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline is sourced from PubChem (CID 47068674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).