N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide

C19H17ClN2O3S2 — CID 3926622

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)s1
InChIInChI=1S/C19H17ClN2O3S2/c1-12-7-9-14(21-19(23)17-10-8-13(2)26-17)11-18(12)27(24,25)22-16-6-4-3-5-15(16)20/h3-11,22H,1-2H3,(H,21,23)
InChIKeySRMFEERIQSVHRV-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.07
Rot. Bonds5

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide (PubChem CID 3926622) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
PubChem CID3926622
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)s1
InChIInChI=1S/C19H17ClN2O3S2/c1-12-7-9-14(21-19(23)17-10-8-13(2)26-17)11-18(12)27(24,25)22-16-6-4-3-5-15(16)20/h3-11,22H,1-2H3,(H,21,23)
InChIKeySRMFEERIQSVHRV-UHFFFAOYSA-N
XLogP5.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide (CID 3926622) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)s1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is SRMFEERIQSVHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-12-7-9-14(21-19(23)17-10-8-13(2)26-17)11-18(12)27(24,25)22-16-6-4-3-5-15(16)20/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 3926622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).