4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide

C12H21N3O4S2 — CID 114816628

IUPAC4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H21N3O4S2/c1-9(2)8-14-21(18,19)15-10(3)11-4-6-12(7-5-11)20(13,16)17/h4-7,9-10,14-15H,8H2,1-3H3,(H2,13,16,17)
InChIKeyFUPAKDUFYPVQGD-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.47
Rot. Bonds7

About 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide

4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide (PubChem CID 114816628) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
PubChem CID114816628
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H21N3O4S2/c1-9(2)8-14-21(18,19)15-10(3)11-4-6-12(7-5-11)20(13,16)17/h4-7,9-10,14-15H,8H2,1-3H3,(H2,13,16,17)
InChIKeyFUPAKDUFYPVQGD-UHFFFAOYSA-N
XLogP0.47
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115571074
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide (CID 114816628) is 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide is CC(C)CNS(=O)(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide?
The InChIKey is FUPAKDUFYPVQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-9(2)8-14-21(18,19)15-10(3)11-4-6-12(7-5-11)20(13,16)17/h4-7,9-10,14-15H,8H2,1-3H3,(H2,13,16,17).
What are the key properties of 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide?
4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 114816628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).