N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide

C26H29ClN4O5S2 — CID 3628849

IUPACN-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCCCC2)cc1
InChIInChI=1S/C26H29ClN4O5S2/c1-30(2)38(35,36)20-12-10-19(11-13-20)26(32)28-24-18-21(14-15-25(24)31-16-6-3-7-17-31)37(33,34)29-23-9-5-4-8-22(23)27/h4-5,8-15,18,29H,3,6-7,16-17H2,1-2H3,(H,28,32)
InChIKeyBWMMXNNGYPFIOS-UHFFFAOYSA-N
MW577.13 g/mol
LogP4.63
Rot. Bonds8

About N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide

N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 3628849) has the molecular formula C26H29ClN4O5S2 and a molecular weight of 577.13 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID3628849
Molecular FormulaC26H29ClN4O5S2
Molecular Weight577.13 g/mol
Exact Mass576.13
IUPAC NameN-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCCCC2)cc1
InChIInChI=1S/C26H29ClN4O5S2/c1-30(2)38(35,36)20-12-10-19(11-13-20)26(32)28-24-18-21(14-15-25(24)31-16-6-3-7-17-31)37(33,34)29-23-9-5-4-8-22(23)27/h4-5,8-15,18,29H,3,6-7,16-17H2,1-2H3,(H,28,32)
InChIKeyBWMMXNNGYPFIOS-UHFFFAOYSA-N
XLogP4.63
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.13
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide (CID 3628849) is N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BWMMXNNGYPFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O5S2/c1-30(2)38(35,36)20-12-10-19(11-13-20)26(32)28-24-18-21(14-15-25(24)31-16-6-3-7-17-31)37(33,34)29-23-9-5-4-8-22(23)27/h4-5,8-15,18,29H,3,6-7,16-17H2,1-2H3,(H,28,32).
What are the key properties of N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide?
N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 577.13 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 3628849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).