N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide

C14H10Cl2N2O4S — CID 10067923

IUPACN-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide
SMILESCOc1ccc(N(C=O)c2c(S)ccc(Cl)c2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O4S/c1-22-8-2-4-10(11(6-8)18(20)21)17(7-19)14-12(23)5-3-9(15)13(14)16/h2-7,23H,1H3
InChIKeyZUOVOQXBBIZDNQ-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.49
Rot. Bonds5

About N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide

N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide (PubChem CID 10067923) has the molecular formula C14H10Cl2N2O4S and a molecular weight of 373.22 g/mol. Its IUPAC name is N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide
PubChem CID10067923
Molecular FormulaC14H10Cl2N2O4S
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC NameN-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide
SMILESCOc1ccc(N(C=O)c2c(S)ccc(Cl)c2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O4S/c1-22-8-2-4-10(11(6-8)18(20)21)17(7-19)14-12(23)5-3-9(15)13(14)16/h2-7,23H,1H3
InChIKeyZUOVOQXBBIZDNQ-UHFFFAOYSA-N
XLogP4.49
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium 4-methoxy-2-nitrobenzenethiol
CID 23676641
5-methoxy-N,N-dimethyl-2-nitroaniline
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CID 46838415
N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide
CID 10474470
1-isocyano-4-methoxy-2-nitrobenzene
CID 11788603
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-(4-chlorophenyl)sulfanyl-4-methoxy-2-nitrobenzene
CID 91875623
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
5-methoxy-3-nitro-2-sulfanylbenzaldehyde
CID 139830624

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide?
The IUPAC name of N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide (CID 10067923) is N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide.
What is the SMILES notation for N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide?
The canonical SMILES for N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide is COc1ccc(N(C=O)c2c(S)ccc(Cl)c2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide?
The InChIKey is ZUOVOQXBBIZDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S/c1-22-8-2-4-10(11(6-8)18(20)21)17(7-19)14-12(23)5-3-9(15)13(14)16/h2-7,23H,1H3.
What are the key properties of N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide?
N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide has a molecular weight of 373.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-6-sulfanylphenyl)-N-(4-methoxy-2-nitrophenyl)formamide is sourced from PubChem (CID 10067923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).