N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide

C15H14Cl2N2O3S — CID 1214257

IUPACN-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-10(20)19(2)13-6-4-12(5-7-13)18-23(21,22)15-9-11(16)3-8-14(15)17/h3-9,18H,1-2H3
InChIKeyWSGRGBUGERORDS-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.78
Rot. Bonds4

About N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide

N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 1214257) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID1214257
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC NameN-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-10(20)19(2)13-6-4-12(5-7-13)18-23(21,22)15-9-11(16)3-8-14(15)17/h3-9,18H,1-2H3
InChIKeyWSGRGBUGERORDS-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 1214257) is N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is WSGRGBUGERORDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-10(20)19(2)13-6-4-12(5-7-13)18-23(21,22)15-9-11(16)3-8-14(15)17/h3-9,18H,1-2H3.
What are the key properties of N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 373.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 1214257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).