N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide

C26H22Cl3NO2S — CID 58875153

IUPACN-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C26H22Cl3NO2S/c1-17(30-33(31,32)24-13-9-18-4-2-3-5-20(18)14-24)25(19-6-10-22(27)11-7-19)15-21-8-12-23(28)16-26(21)29/h2-14,16-17,25,30H,15H2,1H3
InChIKeyANFSYYLEIYNYGT-UHFFFAOYSA-N
MW518.89 g/mol
LogP7.49
Rot. Bonds7

About N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide

N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide (PubChem CID 58875153) has the molecular formula C26H22Cl3NO2S and a molecular weight of 518.89 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide
PubChem CID58875153
Molecular FormulaC26H22Cl3NO2S
Molecular Weight518.89 g/mol
Exact Mass517.04
IUPAC NameN-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C26H22Cl3NO2S/c1-17(30-33(31,32)24-13-9-18-4-2-3-5-20(18)14-24)25(19-6-10-22(27)11-7-19)15-21-8-12-23(28)16-26(21)29/h2-14,16-17,25,30H,15H2,1H3
InChIKeyANFSYYLEIYNYGT-UHFFFAOYSA-N
XLogP7.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.89
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide (CID 58875153) is N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide is CC(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is ANFSYYLEIYNYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3NO2S/c1-17(30-33(31,32)24-13-9-18-4-2-3-5-20(18)14-24)25(19-6-10-22(27)11-7-19)15-21-8-12-23(28)16-26(21)29/h2-14,16-17,25,30H,15H2,1H3.
What are the key properties of N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide?
N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 518.89 g/mol, XLogP of 7.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 58875153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).