3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide

C18H20Cl4N2O4S2 — CID 4661630

IUPAC3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl4N2O4S2/c1-3-23(4-2)9-10-24(29(25,26)13-5-7-15(19)17(21)11-13)30(27,28)14-6-8-16(20)18(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyWPCUSWJTOVTLFC-UHFFFAOYSA-N
MW534.31 g/mol
LogP5.02
Rot. Bonds9

About 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide

3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 4661630) has the molecular formula C18H20Cl4N2O4S2 and a molecular weight of 534.31 g/mol. Its IUPAC name is 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID4661630
Molecular FormulaC18H20Cl4N2O4S2
Molecular Weight534.31 g/mol
Exact Mass531.96
IUPAC Name3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl4N2O4S2/c1-3-23(4-2)9-10-24(29(25,26)13-5-7-15(19)17(21)11-13)30(27,28)14-6-8-16(20)18(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyWPCUSWJTOVTLFC-UHFFFAOYSA-N
XLogP5.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.31
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
N-(1-bromopropan-2-yl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 104556395
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
3-chloro-4-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 52708051
N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 23317090
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
N-(2-bromoethyl)-3,4-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492915
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387697

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 4661630) is 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is WPCUSWJTOVTLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl4N2O4S2/c1-3-23(4-2)9-10-24(29(25,26)13-5-7-15(19)17(21)11-13)30(27,28)14-6-8-16(20)18(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 534.31 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3,4-dichlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4661630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).