3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide

C11H17N3O4S2 — CID 104538405

IUPAC3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O4S2/c1-8(13-20(17,18)14-10-5-6-10)9-3-2-4-11(7-9)19(12,15)16/h2-4,7-8,10,13-14H,5-6H2,1H3,(H2,12,15,16)
InChIKeyHLSKNJRJWCFDKT-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.02
Rot. Bonds6

About 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide

3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide (PubChem CID 104538405) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
PubChem CID104538405
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O4S2/c1-8(13-20(17,18)14-10-5-6-10)9-3-2-4-11(7-9)19(12,15)16/h2-4,7-8,10,13-14H,5-6H2,1H3,(H2,12,15,16)
InChIKeyHLSKNJRJWCFDKT-UHFFFAOYSA-N
XLogP-0.02
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
CID 56513916

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide (CID 104538405) is 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide is CC(NS(=O)(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide?
The InChIKey is HLSKNJRJWCFDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-8(13-20(17,18)14-10-5-6-10)9-3-2-4-11(7-9)19(12,15)16/h2-4,7-8,10,13-14H,5-6H2,1H3,(H2,12,15,16).
What are the key properties of 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide?
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 104538405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).