N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide

C24H19NO4S2 — CID 56928979

IUPACN-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)cc1
InChIInChI=1S/C24H19NO4S2/c1-16-8-10-21(11-9-16)31(28,29)25-19-6-2-4-17(14-19)22-12-13-23(30-22)24(27)18-5-3-7-20(26)15-18/h2-15,25-26H,1H3
InChIKeyGHXNWHQYKCCLKS-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.46
Rot. Bonds6

About N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide

N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 56928979) has the molecular formula C24H19NO4S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID56928979
Molecular FormulaC24H19NO4S2
Molecular Weight449.55 g/mol
Exact Mass449.08
IUPAC NameN-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)cc1
InChIInChI=1S/C24H19NO4S2/c1-16-8-10-21(11-9-16)31(28,29)25-19-6-2-4-17(14-19)22-12-13-23(30-22)24(27)18-5-3-7-20(26)15-18/h2-15,25-26H,1H3
InChIKeyGHXNWHQYKCCLKS-UHFFFAOYSA-N
XLogP5.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide (CID 56928979) is N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)cc1.
What is the InChIKey of N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is GHXNWHQYKCCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S2/c1-16-8-10-21(11-9-16)31(28,29)25-19-6-2-4-17(14-19)22-12-13-23(30-22)24(27)18-5-3-7-20(26)15-18/h2-15,25-26H,1H3.
What are the key properties of N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide?
N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 449.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 56928979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).