N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide

C17H20N4O2S — CID 75516896

IUPACN-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C17H20N4O2S/c1-3-24(22,23)21-15-6-4-13(5-7-15)12(2)19-16-8-9-17-14(10-16)11-18-20-17/h4-12,19,21H,3H2,1-2H3,(H,18,20)
InChIKeyOBXPZNYHTPLCFB-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide

N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide (PubChem CID 75516896) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
PubChem CID75516896
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C17H20N4O2S/c1-3-24(22,23)21-15-6-4-13(5-7-15)12(2)19-16-8-9-17-14(10-16)11-18-20-17/h4-12,19,21H,3H2,1-2H3,(H,18,20)
InChIKeyOBXPZNYHTPLCFB-UHFFFAOYSA-N
XLogP3.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 97338549
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1H-indazol-5-amine
CID 103932201
N-[1-(3-fluorophenyl)ethyl]-1H-indazol-5-amine
CID 43691008
N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
CID 84596568
N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
CID 70645024
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide
CID 60972556
3-N-(1H-indazol-5-yl)-1-N-(4-methylsulfonylphenyl)hexane-1,3-diamine
CID 143370535
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide (CID 75516896) is N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(C)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide?
The InChIKey is OBXPZNYHTPLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-3-24(22,23)21-15-6-4-13(5-7-15)12(2)19-16-8-9-17-14(10-16)11-18-20-17/h4-12,19,21H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide?
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 75516896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).