(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate

C15H14Cl2N2O5S2 — CID 2819934

IUPAC(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate
SMILESCc1ccc(S(C)(=O)=NC(=O)NS(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O5S2/c1-10-3-6-12(7-4-10)25(2,21)18-15(20)19-26(22,23)24-14-8-5-11(16)9-13(14)17/h3-9H,1-2H3,(H,19,20)
InChIKeyLNTCBEHKJJTOKR-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.79
Rot. Bonds4

About (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate

(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate (PubChem CID 2819934) has the molecular formula C15H14Cl2N2O5S2 and a molecular weight of 437.33 g/mol. Its IUPAC name is (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate
PubChem CID2819934
Molecular FormulaC15H14Cl2N2O5S2
Molecular Weight437.33 g/mol
Exact Mass435.97
IUPAC Name(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate
SMILESCc1ccc(S(C)(=O)=NC(=O)NS(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O5S2/c1-10-3-6-12(7-4-10)25(2,21)18-15(20)19-26(22,23)24-14-8-5-11(16)9-13(14)17/h3-9H,1-2H3,(H,19,20)
InChIKeyLNTCBEHKJJTOKR-UHFFFAOYSA-N
XLogP3.79
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431
(2,4-dichlorophenyl) 4-methoxy-3-methylbenzenesulfonate
CID 2193492
1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
ethyl (Z)-3-(2,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 134933796
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide
CID 2821278
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate?
The IUPAC name of (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate (CID 2819934) is (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate.
What is the SMILES notation for (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate?
The canonical SMILES for (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate is Cc1ccc(S(C)(=O)=NC(=O)NS(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate?
The InChIKey is LNTCBEHKJJTOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5S2/c1-10-3-6-12(7-4-10)25(2,21)18-15(20)19-26(22,23)24-14-8-5-11(16)9-13(14)17/h3-9H,1-2H3,(H,19,20).
What are the key properties of (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate?
(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate has a molecular weight of 437.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate is sourced from PubChem (CID 2819934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).