4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide

C16H20N2O4S2 — CID 2811614

IUPAC4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-13-6-9-15(10-7-13)24(21,22)17-14-8-5-12(2)16(11-14)18-23(3,19)20/h5-11,17-18H,4H2,1-3H3
InChIKeyIPHCRSLCIRTQIE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.73
Rot. Bonds6

About 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide

4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide (PubChem CID 2811614) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide
PubChem CID2811614
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-4-13-6-9-15(10-7-13)24(21,22)17-14-8-5-12(2)16(11-14)18-23(3,19)20/h5-11,17-18H,4H2,1-3H3
InChIKeyIPHCRSLCIRTQIE-UHFFFAOYSA-N
XLogP2.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide (CID 2811614) is 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide?
The InChIKey is IPHCRSLCIRTQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-4-13-6-9-15(10-7-13)24(21,22)17-14-8-5-12(2)16(11-14)18-23(3,19)20/h5-11,17-18H,4H2,1-3H3.
What are the key properties of 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide?
4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 2811614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).