N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide

C16H15Cl2NOS — CID 17224609

IUPACN-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NOS/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-14-8-7-11(17)9-13(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyQWUKNZRILWXIPH-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.75
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide

N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 17224609) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
PubChem CID17224609
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC NameN-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NOS/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-14-8-7-11(17)9-13(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyQWUKNZRILWXIPH-UHFFFAOYSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
N-(2,4-dichlorophenyl)-2-[ethyl(methyl)amino]benzamide
CID 155514070

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide (CID 17224609) is N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is QWUKNZRILWXIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-14-8-7-11(17)9-13(14)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide?
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 340.28 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 17224609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).