trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid

C20H21N5O4S — CID 67525087

IUPACtrans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid
SMILESCC(C)n1nnc(-c2ccc(S(=O)(=O)N[C@]3(C(=O)O)C[C@H]3c3ccccc3)cc2)n1
InChIInChI=1S/C20H21N5O4S/c1-13(2)25-22-18(21-24-25)15-8-10-16(11-9-15)30(28,29)23-20(19(26)27)12-17(20)14-6-4-3-5-7-14/h3-11,13,17,23H,12H2,1-2H3,(H,26,27)/t17-,20+/m0/s1
InChIKeyFZNYBPQFNQWDFK-FXAWDEMLSA-N
MW427.49 g/mol
LogP2.21
Rot. Bonds7

About trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid

trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 67525087) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID67525087
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Nametrans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid
SMILESCC(C)n1nnc(-c2ccc(S(=O)(=O)N[C@]3(C(=O)O)C[C@H]3c3ccccc3)cc2)n1
InChIInChI=1S/C20H21N5O4S/c1-13(2)25-22-18(21-24-25)15-8-10-16(11-9-15)30(28,29)23-20(19(26)27)12-17(20)14-6-4-3-5-7-14/h3-11,13,17,23H,12H2,1-2H3,(H,26,27)/t17-,20+/m0/s1
InChIKeyFZNYBPQFNQWDFK-FXAWDEMLSA-N
XLogP2.21
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid (CID 67525087) is trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid is CC(C)n1nnc(-c2ccc(S(=O)(=O)N[C@]3(C(=O)O)C[C@H]3c3ccccc3)cc2)n1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is FZNYBPQFNQWDFK-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-13(2)25-22-18(21-24-25)15-8-10-16(11-9-15)30(28,29)23-20(19(26)27)12-17(20)14-6-4-3-5-7-14/h3-11,13,17,23H,12H2,1-2H3,(H,26,27)/t17-,20+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid?
trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 427.49 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-1-[[4-(2-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67525087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).