2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide

C12H20N2O4S2 — CID 62150190

IUPAC2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
SMILESCCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H20N2O4S2/c1-5-13-11-7-6-10(19(4,15)16)8-12(11)20(17,18)14-9(2)3/h6-9,13-14H,5H2,1-4H3
InChIKeyYSPVOJRSCOCKIC-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.21
Rot. Bonds6

About 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide

2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 62150190) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
PubChem CID62150190
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
SMILESCCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H20N2O4S2/c1-5-13-11-7-6-10(19(4,15)16)8-12(11)20(17,18)14-9(2)3/h6-9,13-14H,5H2,1-4H3
InChIKeyYSPVOJRSCOCKIC-UHFFFAOYSA-N
XLogP1.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62148796
2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
CID 61036669
N-ethyl-2-methoxy-4-methylsulfonylaniline
CID 170597285
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734
N-(1-chloro-3-methylbutan-2-yl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 79262394
2-(ethylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62149857
2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
1-N-[2,4-bis(methylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
CID 78954539
N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
CID 62142912
2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol
CID 70333749
2-hydrazinyl-N-(2-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 102699204

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide (CID 62150190) is 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide is CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is YSPVOJRSCOCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-5-13-11-7-6-10(19(4,15)16)8-12(11)20(17,18)14-9(2)3/h6-9,13-14H,5H2,1-4H3.
What are the key properties of 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62150190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).