N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide

C16H20N2O4S3 — CID 1332102

IUPACN-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)NCC)cc2)cc1
InChIInChI=1S/C16H20N2O4S3/c1-3-17-24(19,20)15-9-5-13(6-10-15)23-14-7-11-16(12-8-14)25(21,22)18-4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyYMXFLYSBWLTWEP-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.43
Rot. Bonds8

About N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide

N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide (PubChem CID 1332102) has the molecular formula C16H20N2O4S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide
PubChem CID1332102
Molecular FormulaC16H20N2O4S3
Molecular Weight400.55 g/mol
Exact Mass400.06
IUPAC NameN-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)NCC)cc2)cc1
InChIInChI=1S/C16H20N2O4S3/c1-3-17-24(19,20)15-9-5-13(6-10-15)23-14-7-11-16(12-8-14)25(21,22)18-4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyYMXFLYSBWLTWEP-UHFFFAOYSA-N
XLogP2.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-Ethylenebisbenzenesulfonamide
CID 72892
N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide
CID 645274
N-tert-butyl-3-[3-(tert-butylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3242557
4-(Benzenesulfonyl)benzenesulfonamide
CID 12736910
N-cyclopropyl-4-(methylsulfanyl)benzenesulfonamide
CID 2222291
N-cyclohexyl-4-(methylsulfanyl)benzenesulfonamide
CID 803800
3-[3-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 2227567
N-[2-(tert-butylthio)ethyl]-4-(methylthio)benzenesulfonamide
CID 2231398
4-fluoro-N-[2-(phenylsulfanyl)ethyl]benzenesulfonamide
CID 2276062
N-(2-tert-butylsulfanylethyl)benzenesulfonamide
CID 2277133
2-fluoro-N-[3-(phenylsulfanyl)propyl]benzene-1-sulfonamide
CID 2450143
4-fluoro-N-(4-{[(4-fluorophenyl)sulfonyl]amino}butyl)benzenesulfonamide
CID 2164906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide (CID 1332102) is N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)NCC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
The InChIKey is YMXFLYSBWLTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S3/c1-3-17-24(19,20)15-9-5-13(6-10-15)23-14-7-11-16(12-8-14)25(21,22)18-4-2/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide has a molecular weight of 400.55 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(ethylsulfamoyl)phenyl]sulfanylbenzenesulfonamide is sourced from PubChem (CID 1332102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).