N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide

C24H26N2O5S — CID 91158203

IUPACN-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1c(O)[nH]c(CC2CCCCC2)c1O
InChIInChI=1S/C24H26N2O5S/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-17-11-13-19(14-12-17)32(30,31)18-9-5-2-6-10-18/h2,5-6,9-14,16,26-27,29H,1,3-4,7-8,15H2,(H,25,28)
InChIKeyDDZZHVSBIATDPJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.63
Rot. Bonds6

About N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide

N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide (PubChem CID 91158203) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide
PubChem CID91158203
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1c(O)[nH]c(CC2CCCCC2)c1O
InChIInChI=1S/C24H26N2O5S/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-17-11-13-19(14-12-17)32(30,31)18-9-5-2-6-10-18/h2,5-6,9-14,16,26-27,29H,1,3-4,7-8,15H2,(H,25,28)
InChIKeyDDZZHVSBIATDPJ-UHFFFAOYSA-N
XLogP4.63
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide
CID 90954332
N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide
CID 91356775
5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 136636420
2-[[4-(benzenesulfonyl)phenyl]carbamoyl]-3,4,5,6-tetrachlorobenzoic acid
CID 88891408
5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 11518254
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 3436224
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 172895059

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide (CID 91158203) is N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1c(O)[nH]c(CC2CCCCC2)c1O.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
The InChIKey is DDZZHVSBIATDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-17-11-13-19(14-12-17)32(30,31)18-9-5-2-6-10-18/h2,5-6,9-14,16,26-27,29H,1,3-4,7-8,15H2,(H,25,28).
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91158203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).