N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane

C26H28ClN5O3S — CID 143198935

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane
SMILESCC.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C24H22ClN5O3S.C2H6/c25-22-10-7-19(16-21(22)23-4-1-2-11-27-23)29-24(31)18-5-8-20(9-6-18)34(32,33)28-12-3-14-30-15-13-26-17-30;1-2/h1-2,4-11,13,15-17,28H,3,12,14H2,(H,29,31);1-2H3
InChIKeyZFRQNDWHDSPLCI-UHFFFAOYSA-N
MW526.06 g/mol
LogP5.25
Rot. Bonds9

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane (PubChem CID 143198935) has the molecular formula C26H28ClN5O3S and a molecular weight of 526.06 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane
PubChem CID143198935
Molecular FormulaC26H28ClN5O3S
Molecular Weight526.06 g/mol
Exact Mass525.16
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane
SMILESCC.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C24H22ClN5O3S.C2H6/c25-22-10-7-19(16-21(22)23-4-1-2-11-27-23)29-24(31)18-5-8-20(9-6-18)34(32,33)28-12-3-14-30-15-13-26-17-30;1-2/h1-2,4-11,13,15-17,28H,3,12,14H2,(H,29,31);1-2H3
InChIKeyZFRQNDWHDSPLCI-UHFFFAOYSA-N
XLogP5.25
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.06
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 2g
CID 5330606
2-chloro-5-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44223915
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-imidazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591637
4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 3897124
2,4-dichloro-N-[(R)-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 76310605
2,4-dichloro-N-[[(1R,5S)-3-(1-methylimidazol-4-yl)sulfonyl-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 76328675
2,4-dichloro-N-[(S)-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 76328689
2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 46912220
2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 46935694
2-Chloro-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084462
US9963434, Table 12.42
CID 117977774
3H-benzimidazol-5-yl-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 25161497

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane (CID 143198935) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane is CC.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane?
The InChIKey is ZFRQNDWHDSPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S.C2H6/c25-22-10-7-19(16-21(22)23-4-1-2-11-27-23)29-24(31)18-5-8-20(9-6-18)34(32,33)28-12-3-14-30-15-13-26-17-30;1-2/h1-2,4-11,13,15-17,28H,3,12,14H2,(H,29,31);1-2H3.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane has a molecular weight of 526.06 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane is sourced from PubChem (CID 143198935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).