N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide

C13H19N5O2S — CID 106282881

IUPACN-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(C)c1ncn[nH]1
InChIInChI=1S/C13H19N5O2S/c1-3-8-16-21(19,20)12-7-5-4-6-11(12)17-10(2)13-14-9-15-18-13/h4-7,9-10,16-17H,3,8H2,1-2H3,(H,14,15,18)
InChIKeyPVZLRXIDFIVFMU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.67
Rot. Bonds7

About N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide

N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 106282881) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID106282881
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(C)c1ncn[nH]1
InChIInChI=1S/C13H19N5O2S/c1-3-8-16-21(19,20)12-7-5-4-6-11(12)17-10(2)13-14-9-15-18-13/h4-7,9-10,16-17H,3,8H2,1-2H3,(H,14,15,18)
InChIKeyPVZLRXIDFIVFMU-UHFFFAOYSA-N
XLogP1.67
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 114168096
2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 106281269
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
CID 103885404
N-ethyl-2-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 43524451
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
2-methyl-3-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,3-diamine
CID 106281231
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106283483
3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
CID 81083785
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (CID 106282881) is N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC(C)c1ncn[nH]1.
What is the InChIKey of N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is PVZLRXIDFIVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-8-16-21(19,20)12-7-5-4-6-11(12)17-10(2)13-14-9-15-18-13/h4-7,9-10,16-17H,3,8H2,1-2H3,(H,14,15,18).
What are the key properties of N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106282881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).