CID 59206942

C23H18FN2O5S — CID 59206942

IUPAC—
SMILES[NH]S(=O)(=O)c1ccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1
InChIInChI=1S/C23H18FN2O5S/c24-18-7-3-15(14-1-5-17(6-2-14)32(25,28)29)11-19(18)26-22(27)23(9-10-23)16-4-8-20-21(12-16)31-13-30-20/h1-8,11-12,25H,9-10,13H2,(H,26,27)
InChIKeySLSGYESWSUSCBW-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.86
Rot. Bonds5

About CID 59206942

CID 59206942 (PubChem CID 59206942) has the molecular formula C23H18FN2O5S and a molecular weight of 453.47 g/mol.

Molecular Properties

Compound NameCID 59206942
PubChem CID59206942
Molecular FormulaC23H18FN2O5S
Molecular Weight453.47 g/mol
Exact Mass453.09
IUPAC Name—
SMILES[NH]S(=O)(=O)c1ccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1
InChIInChI=1S/C23H18FN2O5S/c24-18-7-3-15(14-1-5-17(6-2-14)32(25,28)29)11-19(18)26-22(27)23(9-10-23)16-4-8-20-21(12-16)31-13-30-20/h1-8,11-12,25H,9-10,13H2,(H,26,27)
InChIKeySLSGYESWSUSCBW-UHFFFAOYSA-N
XLogP3.86
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59206260
CID 59206260
1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206874
1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159189749
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160712743
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678732
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272515
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161083275
1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-[4-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206232
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]benzoic acid
CID 59206490
N-[5-[4-(acetamidomethyl)phenyl]-2-fluoro-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158937440

Frequently Asked Questions

What is the IUPAC name of CID 59206942?
The IUPAC name of CID 59206942 (CID 59206942) is not available.
What is the SMILES notation for CID 59206942?
The canonical SMILES for CID 59206942 is [NH]S(=O)(=O)c1ccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.
What is the InChIKey of CID 59206942?
The InChIKey is SLSGYESWSUSCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN2O5S/c24-18-7-3-15(14-1-5-17(6-2-14)32(25,28)29)11-19(18)26-22(27)23(9-10-23)16-4-8-20-21(12-16)31-13-30-20/h1-8,11-12,25H,9-10,13H2,(H,26,27).
What are the key properties of CID 59206942?
CID 59206942 has a molecular weight of 453.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59206942 is sourced from PubChem (CID 59206942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).