1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C24H23ClN2O5S — CID 158438443

IUPAC1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4cc(Cl)c5c(c4)OCO5)CC3)c2)cc1.[H][H]
InChIInChI=1S/C24H21ClN2O5S.H2/c1-26-33(29,30)19-7-5-15(6-8-19)16-3-2-4-18(11-16)27-23(28)24(9-10-24)17-12-20(25)22-21(13-17)31-14-32-22;/h2-8,11-13,26H,9-10,14H2,1H3,(H,27,28);1H
InChIKeyHCNBTUAZIAZKKS-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.56
Rot. Bonds6

About 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158438443) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158438443
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Name1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4cc(Cl)c5c(c4)OCO5)CC3)c2)cc1.[H][H]
InChIInChI=1S/C24H21ClN2O5S.H2/c1-26-33(29,30)19-7-5-15(6-8-19)16-3-2-4-18(11-16)27-23(28)24(9-10-24)17-12-20(25)22-21(13-17)31-14-32-22;/h2-8,11-13,26H,9-10,14H2,1H3,(H,27,28);1H
InChIKeyHCNBTUAZIAZKKS-UHFFFAOYSA-N
XLogP4.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
CID 157089921
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CID 161492116
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159954531
1-(1,3-benzodioxol-5-yl)-N-[3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206705
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206887
1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206982
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-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160776634
1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158797173
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161163136
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide
CID 59206690
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(propan-2-ylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 162127444

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158438443) is 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4cc(Cl)c5c(c4)OCO5)CC3)c2)cc1.[H][H].
What is the InChIKey of 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is HCNBTUAZIAZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5S.H2/c1-26-33(29,30)19-7-5-15(6-8-19)16-3-2-4-18(11-16)27-23(28)24(9-10-24)17-12-20(25)22-21(13-17)31-14-32-22;/h2-8,11-13,26H,9-10,14H2,1H3,(H,27,28);1H.
What are the key properties of 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 486.98 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158438443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).