N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide

C21H19ClN2O3S — CID 72554014

IUPACN-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCON=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-15-8-11-18(12-9-15)28(25,26)24-20-13-10-17(22)14-19(20)21(23-27-2)16-6-4-3-5-7-16/h3-14,24H,1-2H3
InChIKeyZMDZRSLODUNWGK-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.85
Rot. Bonds6

About N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide

N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 72554014) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID72554014
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCON=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-15-8-11-18(12-9-15)28(25,26)24-20-13-10-17(22)14-19(20)21(23-27-2)16-6-4-3-5-7-16/h3-14,24H,1-2H3
InChIKeyZMDZRSLODUNWGK-UHFFFAOYSA-N
XLogP4.85
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894
N-[2,5-dimethoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide
CID 10718059

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide (CID 72554014) is N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide is CON=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZMDZRSLODUNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-15-8-11-18(12-9-15)28(25,26)24-20-13-10-17(22)14-19(20)21(23-27-2)16-6-4-3-5-7-16/h3-14,24H,1-2H3.
What are the key properties of N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 414.91 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 72554014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).