N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide

C21H17ClN2O4S — CID 24895114

IUPACN-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)
InChIKeyAVEOUUKYCPBIQO-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.33
Rot. Bonds6

About N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 24895114) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID24895114
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC NameN-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)
InChIKeyAVEOUUKYCPBIQO-UHFFFAOYSA-N
XLogP4.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide (CID 24895114) is N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is AVEOUUKYCPBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 428.90 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 24895114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).