5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

C16H18Cl2N2O5S2 — CID 24502195

IUPAC5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18Cl2N2O5S2/c1-4-25-15-8-5-11(9-16(15)27(23,24)20(2)3)19-26(21,22)12-6-7-13(17)14(18)10-12/h5-10,19H,4H2,1-3H3
InChIKeyXRWMLJLCOVLRCO-UHFFFAOYSA-N
MW453.37 g/mol
LogP3.44
Rot. Bonds7

About 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 24502195) has the molecular formula C16H18Cl2N2O5S2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID24502195
Molecular FormulaC16H18Cl2N2O5S2
Molecular Weight453.37 g/mol
Exact Mass452.00
IUPAC Name5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18Cl2N2O5S2/c1-4-25-15-8-5-11(9-16(15)27(23,24)20(2)3)19-26(21,22)12-6-7-13(17)14(18)10-12/h5-10,19H,4H2,1-3H3
InChIKeyXRWMLJLCOVLRCO-UHFFFAOYSA-N
XLogP3.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
N-(1,3-benzodioxol-5-yl)-3-chloro-4-ethoxybenzenesulfonamide
CID 6491906
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 2206278

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (CID 24502195) is 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is XRWMLJLCOVLRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O5S2/c1-4-25-15-8-5-11(9-16(15)27(23,24)20(2)3)19-26(21,22)12-6-7-13(17)14(18)10-12/h5-10,19H,4H2,1-3H3.
What are the key properties of 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 453.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24502195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).