N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide

C18H21NO4S — CID 42623685

IUPACN-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide
SMILESCC(C)c1cc(-c2ccccc2NS(=O)(=O)C2CC2)c(O)cc1O
InChIInChI=1S/C18H21NO4S/c1-11(2)14-9-15(18(21)10-17(14)20)13-5-3-4-6-16(13)19-24(22,23)12-7-8-12/h3-6,9-12,19-21H,7-8H2,1-2H3
InChIKeyMGPQORSEOHPKRL-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.79
Rot. Bonds5

About N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide

N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide (PubChem CID 42623685) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide
PubChem CID42623685
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide
SMILESCC(C)c1cc(-c2ccccc2NS(=O)(=O)C2CC2)c(O)cc1O
InChIInChI=1S/C18H21NO4S/c1-11(2)14-9-15(18(21)10-17(14)20)13-5-3-4-6-16(13)19-24(22,23)12-7-8-12/h3-6,9-12,19-21H,7-8H2,1-2H3
InChIKeyMGPQORSEOHPKRL-UHFFFAOYSA-N
XLogP3.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide
CID 113271120
N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
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N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide
CID 77046511
N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide
CID 58133117
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide
CID 71012469
2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)benzamide
CID 71598556
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
CID 5268876
N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 170421258
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide (CID 42623685) is N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide is CC(C)c1cc(-c2ccccc2NS(=O)(=O)C2CC2)c(O)cc1O.
What is the InChIKey of N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide?
The InChIKey is MGPQORSEOHPKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-11(2)14-9-15(18(21)10-17(14)20)13-5-3-4-6-16(13)19-24(22,23)12-7-8-12/h3-6,9-12,19-21H,7-8H2,1-2H3.
What are the key properties of N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide?
N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 42623685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).