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

C14H10Cl2N2O4S — CID 10474470

IUPACN-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide
SMILESCOc1ccc(Sc2c(Cl)ccc(Cl)c2NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O4S/c1-22-8-2-5-12(11(6-8)18(20)21)23-14-10(16)4-3-9(15)13(14)17-7-19/h2-7H,1H3,(H,17,19)
InChIKeyKXSFXOMRGPDAHI-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.63
Rot. Bonds6

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

N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide (PubChem CID 10474470) has the molecular formula C14H10Cl2N2O4S and a molecular weight of 373.22 g/mol. Its IUPAC name is N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide.

Molecular Properties

Compound NameN-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide
PubChem CID10474470
Molecular FormulaC14H10Cl2N2O4S
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC NameN-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide
SMILESCOc1ccc(Sc2c(Cl)ccc(Cl)c2NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O4S/c1-22-8-2-5-12(11(6-8)18(20)21)23-14-10(16)4-3-9(15)13(14)17-7-19/h2-7H,1H3,(H,17,19)
InChIKeyKXSFXOMRGPDAHI-UHFFFAOYSA-N
XLogP4.63
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.63
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'}

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Related Compounds

N-[2-(2,4-dinitrophenyl)sulfanyl-4-methoxy-6-nitrophenyl]formamide
CID 71403885
1-(4-chlorophenyl)sulfanyl-4-methoxy-2-nitrobenzene
CID 91875623
5-(4-methoxy-2-nitrophenyl)sulfanylfuran-2-carboxylic acid
CID 63947377
2-(4-chloro-2-nitrophenyl)sulfanyl-5-methoxybenzoic acid
CID 24749717
1-(4-methoxyphenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene
CID 9172407
2-(4-methoxy-2-nitrophenyl)sulfanyl-3-methylbutanoic acid
CID 105355225
2-(4-methoxy-2-nitrophenyl)sulfanylacetic acid
CID 20522291
4-(2-amino-5-methoxyphenyl)sulfanyl-3-nitrobenzonitrile
CID 86702709
N-[2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitrophenyl]formamide
CID 168653971
4-ethyl-1-(4-methoxyphenyl)sulfanyl-2-nitrobenzene
CID 91879140
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438

Frequently Asked Questions

What is the IUPAC name of N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide?
The IUPAC name of N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide (CID 10474470) is N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide.
What is the SMILES notation for N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide?
The canonical SMILES for N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide is COc1ccc(Sc2c(Cl)ccc(Cl)c2NC=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide?
The InChIKey is KXSFXOMRGPDAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S/c1-22-8-2-5-12(11(6-8)18(20)21)23-14-10(16)4-3-9(15)13(14)17-7-19/h2-7H,1H3,(H,17,19).
What are the key properties of N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide?
N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide has a molecular weight of 373.22 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,6-dichloro-2-(4-methoxy-2-nitrophenyl)sulfanylphenyl]formamide is sourced from PubChem (CID 10474470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).