4-[1-(sulfamoylamino)ethyl]benzenesulfonamide

C8H13N3O4S2 — CID 112684101

IUPAC4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
SMILESCC(NS(N)(=O)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H13N3O4S2/c1-6(11-17(10,14)15)7-2-4-8(5-3-7)16(9,12)13/h2-6,11H,1H3,(H2,9,12,13)(H2,10,14,15)
InChIKeyUGMVBTJGCTZVAJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.81
Rot. Bonds4

About 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide

4-[1-(sulfamoylamino)ethyl]benzenesulfonamide (PubChem CID 112684101) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
PubChem CID112684101
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
SMILESCC(NS(N)(=O)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H13N3O4S2/c1-6(11-17(10,14)15)7-2-4-8(5-3-7)16(9,12)13/h2-6,11H,1H3,(H2,9,12,13)(H2,10,14,15)
InChIKeyUGMVBTJGCTZVAJ-UHFFFAOYSA-N
XLogP-0.81
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816628
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
CID 79090299
1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
CID 112684116
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572

Frequently Asked Questions

What is the IUPAC name of 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide (CID 112684101) is 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide is CC(NS(N)(=O)=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide?
The InChIKey is UGMVBTJGCTZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-6(11-17(10,14)15)7-2-4-8(5-3-7)16(9,12)13/h2-6,11H,1H3,(H2,9,12,13)(H2,10,14,15).
What are the key properties of 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide?
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(sulfamoylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 112684101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).