4-(benzenesulfonamido)-N-ethylbenzenesulfonamide

C14H16N2O4S2 — CID 2230301

IUPAC4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-2-15-21(17,18)14-10-8-12(9-11-14)16-22(19,20)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3
InChIKeyKXMQXAAHFTVRBL-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.79
Rot. Bonds6

About 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide

4-(benzenesulfonamido)-N-ethylbenzenesulfonamide (PubChem CID 2230301) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
PubChem CID2230301
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-2-15-21(17,18)14-10-8-12(9-11-14)16-22(19,20)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3
InChIKeyKXMQXAAHFTVRBL-UHFFFAOYSA-N
XLogP1.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
CID 1213371
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide (CID 2230301) is 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide?
The InChIKey is KXMQXAAHFTVRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-2-15-21(17,18)14-10-8-12(9-11-14)16-22(19,20)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3.
What are the key properties of 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide?
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 2230301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).