4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide

C11H18N2O4S2 — CID 60656130

IUPAC4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C11H18N2O4S2/c1-4-18(14,15)13-10-5-7-11(8-6-10)19(16,17)12-9(2)3/h5-9,12-13H,4H2,1-3H3
InChIKeyKMCDRRBDZKXXQS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.13
Rot. Bonds6

About 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide

4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 60656130) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID60656130
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C11H18N2O4S2/c1-4-18(14,15)13-10-5-7-11(8-6-10)19(16,17)12-9(2)3/h5-9,12-13H,4H2,1-3H3
InChIKeyKMCDRRBDZKXXQS-UHFFFAOYSA-N
XLogP1.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 26966432
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide (CID 60656130) is 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KMCDRRBDZKXXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-4-18(14,15)13-10-5-7-11(8-6-10)19(16,17)12-9(2)3/h5-9,12-13H,4H2,1-3H3.
What are the key properties of 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide?
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60656130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).