2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide

C14H10Cl2N2O3S2 — CID 129132112

IUPAC2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2c(Cl)cc(N=S)cc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O3S2/c1-23(20,21)10-4-2-3-8(5-10)17-14(19)13-11(15)6-9(18-22)7-12(13)16/h2-7H,1H3,(H,17,19)
InChIKeyWBWHBELPAITCRN-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.01
Rot. Bonds4

About 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide

2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide (PubChem CID 129132112) has the molecular formula C14H10Cl2N2O3S2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide
PubChem CID129132112
Molecular FormulaC14H10Cl2N2O3S2
Molecular Weight389.29 g/mol
Exact Mass387.95
IUPAC Name2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2c(Cl)cc(N=S)cc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O3S2/c1-23(20,21)10-4-2-3-8(5-10)17-14(19)13-11(15)6-9(18-22)7-12(13)16/h2-7H,1H3,(H,17,19)
InChIKeyWBWHBELPAITCRN-UHFFFAOYSA-N
XLogP4.01
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide?
The IUPAC name of 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide (CID 129132112) is 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide.
What is the SMILES notation for 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide?
The canonical SMILES for 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide is CS(=O)(=O)c1cccc(NC(=O)c2c(Cl)cc(N=S)cc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide?
The InChIKey is WBWHBELPAITCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S2/c1-23(20,21)10-4-2-3-8(5-10)17-14(19)13-11(15)6-9(18-22)7-12(13)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide?
2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide has a molecular weight of 389.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide is sourced from PubChem (CID 129132112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).