2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide

C12H20N2O5S2 — CID 79592852

IUPAC2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)CCOC(C)C)ccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O5S2/c1-9(2)19-6-7-20(15,16)14-11-4-5-12(10(3)8-11)21(13,17)18/h4-5,8-9,14H,6-7H2,1-3H3,(H2,13,17,18)
InChIKeyQFOCSMDKDPGFIR-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.81
Rot. Bonds7

About 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide

2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide (PubChem CID 79592852) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
PubChem CID79592852
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)CCOC(C)C)ccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O5S2/c1-9(2)19-6-7-20(15,16)14-11-4-5-12(10(3)8-11)21(13,17)18/h4-5,8-9,14H,6-7H2,1-3H3,(H2,13,17,18)
InChIKeyQFOCSMDKDPGFIR-UHFFFAOYSA-N
XLogP0.81
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 113249970
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-propan-2-yloxyethanesulfonamide
CID 79592879
4-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 79594551
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
CID 79593302
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174
4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
CID 63246071
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593806
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79130523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide (CID 79592852) is 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide is Cc1cc(NS(=O)(=O)CCOC(C)C)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
The InChIKey is QFOCSMDKDPGFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-9(2)19-6-7-20(15,16)14-11-4-5-12(10(3)8-11)21(13,17)18/h4-5,8-9,14H,6-7H2,1-3H3,(H2,13,17,18).
What are the key properties of 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 79592852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).