3-(ethylsulfamoylamino)benzenesulfonamide

C8H13N3O4S2 — CID 114812411

IUPAC3-(ethylsulfamoylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H13N3O4S2/c1-2-10-17(14,15)11-7-4-3-5-8(6-7)16(9,12)13/h3-6,10-11H,2H2,1H3,(H2,9,12,13)
InChIKeyNIIQORAKMJSZBA-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.40
Rot. Bonds5

About 3-(ethylsulfamoylamino)benzenesulfonamide

3-(ethylsulfamoylamino)benzenesulfonamide (PubChem CID 114812411) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)benzenesulfonamide
PubChem CID114812411
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name3-(ethylsulfamoylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H13N3O4S2/c1-2-10-17(14,15)11-7-4-3-5-8(6-7)16(9,12)13/h3-6,10-11H,2H2,1H3,(H2,9,12,13)
InChIKeyNIIQORAKMJSZBA-UHFFFAOYSA-N
XLogP-0.40
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
CID 63243241
3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
3-[(3-chloro-2-methylpropyl)sulfonylamino]benzenesulfonamide
CID 79585777
3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811666
2-(ethylamino)-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55121317
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
2-chloro-4-(ethylsulfamoylamino)phenol
CID 114809196
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)benzenesulfonamide?
The IUPAC name of 3-(ethylsulfamoylamino)benzenesulfonamide (CID 114812411) is 3-(ethylsulfamoylamino)benzenesulfonamide.
What is the SMILES notation for 3-(ethylsulfamoylamino)benzenesulfonamide?
The canonical SMILES for 3-(ethylsulfamoylamino)benzenesulfonamide is CCNS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(ethylsulfamoylamino)benzenesulfonamide?
The InChIKey is NIIQORAKMJSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-2-10-17(14,15)11-7-4-3-5-8(6-7)16(9,12)13/h3-6,10-11H,2H2,1H3,(H2,9,12,13).
What are the key properties of 3-(ethylsulfamoylamino)benzenesulfonamide?
3-(ethylsulfamoylamino)benzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)benzenesulfonamide is sourced from PubChem (CID 114812411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).