N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide

C13H16N4O3S — CID 106404388

IUPACN-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCCc2ncon2)cc1
InChIInChI=1S/C13H16N4O3S/c18-21(19,17-11-1-2-11)12-5-3-10(4-6-12)14-8-7-13-15-9-20-16-13/h3-6,9,11,14,17H,1-2,7-8H2
InChIKeyPYFJVXDTSFHQAW-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.16
Rot. Bonds7

About N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide

N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 106404388) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID106404388
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCCc2ncon2)cc1
InChIInChI=1S/C13H16N4O3S/c18-21(19,17-11-1-2-11)12-5-3-10(4-6-12)14-8-7-13-15-9-20-16-13/h3-6,9,11,14,17H,1-2,7-8H2
InChIKeyPYFJVXDTSFHQAW-UHFFFAOYSA-N
XLogP1.16
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 106403444
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411257
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
CID 61012175
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide (CID 106404388) is N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(NCCc2ncon2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is PYFJVXDTSFHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c18-21(19,17-11-1-2-11)12-5-3-10(4-6-12)14-8-7-13-15-9-20-16-13/h3-6,9,11,14,17H,1-2,7-8H2.
What are the key properties of N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide?
N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106404388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).