N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide

C12H20N2O4S2 — CID 64629339

IUPACN-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O4S2/c1-4-13-20(17,18)12-7-5-11(6-8-12)14-10(2)9-19(3,15)16/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyYRBOFXQXYZTRGU-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.83
Rot. Bonds7

About N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide

N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide (PubChem CID 64629339) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
PubChem CID64629339
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O4S2/c1-4-13-20(17,18)12-7-5-11(6-8-12)14-10(2)9-19(3,15)16/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyYRBOFXQXYZTRGU-UHFFFAOYSA-N
XLogP0.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
N-(1-methylsulfonylpropan-2-yl)-4-propan-2-ylaniline
CID 64631526
N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630713
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide
CID 138631823
1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide (CID 64629339) is N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NC(C)CS(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is YRBOFXQXYZTRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-4-13-20(17,18)12-7-5-11(6-8-12)14-10(2)9-19(3,15)16/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide?
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 64629339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).