N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C24H23N5O5S — CID 24687975

IUPACN-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H23N5O5S/c30-22-4-2-1-3-21(22)28-11-13-29(14-12-28)23(31)16-5-7-17(8-6-16)27-35(33,34)18-9-10-19-20(15-18)26-24(32)25-19/h1-10,15,27,30H,11-14H2,(H2,25,26,32)
InChIKeyQUTMWIBWVVIQIV-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.33
Rot. Bonds5

About N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 24687975) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID24687975
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC NameN-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H23N5O5S/c30-22-4-2-1-3-21(22)28-11-13-29(14-12-28)23(31)16-5-7-17(8-6-16)27-35(33,34)18-9-10-19-20(15-18)26-24(32)25-19/h1-10,15,27,30H,11-14H2,(H2,25,26,32)
InChIKeyQUTMWIBWVVIQIV-UHFFFAOYSA-N
XLogP2.33
TPSA138.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 24687975) is N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is QUTMWIBWVVIQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c30-22-4-2-1-3-21(22)28-11-13-29(14-12-28)23(31)16-5-7-17(8-6-16)27-35(33,34)18-9-10-19-20(15-18)26-24(32)25-19/h1-10,15,27,30H,11-14H2,(H2,25,26,32).
What are the key properties of N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 493.55 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 24687975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).