N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide

C14H20N4O2S — CID 60917157

IUPACN-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
SMILESCCCNC(C)c1ccccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C14H20N4O2S/c1-3-8-15-11(2)13-6-4-5-7-14(13)18-21(19,20)12-9-16-17-10-12/h4-7,9-11,15,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyYIVCGUFXRDFMEI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide

N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60917157) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID60917157
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
SMILESCCCNC(C)c1ccccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C14H20N4O2S/c1-3-8-15-11(2)13-6-4-5-7-14(13)18-21(19,20)12-9-16-17-10-12/h4-7,9-11,15,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyYIVCGUFXRDFMEI-UHFFFAOYSA-N
XLogP2.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274213
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267507
2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
CID 104517879
2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 55043588
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide (CID 60917157) is N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide is CCCNC(C)c1ccccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is YIVCGUFXRDFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-8-15-11(2)13-6-4-5-7-14(13)18-21(19,20)12-9-16-17-10-12/h4-7,9-11,15,18H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide?
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).