trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid

C18H19NO4S — CID 136584796

IUPACtrans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-12-3-9-15(10-4-12)24(22,23)19-14-7-5-13(6-8-14)16-11-17(16)18(20)21/h3-10,16-17,19H,2,11H2,1H3,(H,20,21)/t16-,17+/m0/s1
InChIKeyPTMULORJRMOYGI-DLBZAZTESA-N
MW345.42 g/mol
LogP3.24
Rot. Bonds6

About trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 136584796) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID136584796
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Nametrans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-12-3-9-15(10-4-12)24(22,23)19-14-7-5-13(6-8-14)16-11-17(16)18(20)21/h3-10,16-17,19H,2,11H2,1H3,(H,20,21)/t16-,17+/m0/s1
InChIKeyPTMULORJRMOYGI-DLBZAZTESA-N
XLogP3.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 798958
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CID 26487109
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
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4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-ethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide
CID 110720566
N-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3837936
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
2-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 82487615

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid (CID 136584796) is trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is PTMULORJRMOYGI-DLBZAZTESA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-12-3-9-15(10-4-12)24(22,23)19-14-7-5-13(6-8-14)16-11-17(16)18(20)21/h3-10,16-17,19H,2,11H2,1H3,(H,20,21)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 136584796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).