4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline

C19H21FN6O5S2 — CID 55988556

IUPAC4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21FN6O5S2/c1-32(27,28)16-5-3-15(4-6-16)26-19(22-23-24-26)13-21-14-2-7-17(20)18(12-14)33(29,30)25-8-10-31-11-9-25/h2-7,12,21H,8-11,13H2,1H3
InChIKeyZBSIWDWQKDDSGV-UHFFFAOYSA-N
MW496.55 g/mol
LogP0.84
Rot. Bonds7

About 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline

4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline (PubChem CID 55988556) has the molecular formula C19H21FN6O5S2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline
PubChem CID55988556
Molecular FormulaC19H21FN6O5S2
Molecular Weight496.55 g/mol
Exact Mass496.10
IUPAC Name4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21FN6O5S2/c1-32(27,28)16-5-3-15(4-6-16)26-19(22-23-24-26)13-21-14-2-7-17(20)18(12-14)33(29,30)25-8-10-31-11-9-25/h2-7,12,21H,8-11,13H2,1H3
InChIKeyZBSIWDWQKDDSGV-UHFFFAOYSA-N
XLogP0.84
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
CID 55989469
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674
4-fluoro-3-morpholin-4-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 17465526
2-chloro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55989209
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
1-(2,5-difluorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339724
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
3-[(4-fluoro-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 78840350
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4835487
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline (CID 55988556) is 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline is CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
The InChIKey is ZBSIWDWQKDDSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O5S2/c1-32(27,28)16-5-3-15(4-6-16)26-19(22-23-24-26)13-21-14-2-7-17(20)18(12-14)33(29,30)25-8-10-31-11-9-25/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline?
4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline has a molecular weight of 496.55 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 55988556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).