N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide

C16H26N4O2S — CID 70939628

IUPACN-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)23(21,22)19-10-6-4-5-9-17-14-7-8-15-13(11-14)12-18-20-15/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyGZWARLQAPNIJNG-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.86
Rot. Bonds8

About N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide

N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939628) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
PubChem CID70939628
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)23(21,22)19-10-6-4-5-9-17-14-7-8-15-13(11-14)12-18-20-15/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyGZWARLQAPNIJNG-UHFFFAOYSA-N
XLogP2.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylpropyl)-1H-indazol-5-amine
CID 43690828
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
CID 70939637
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
3-N-(1H-indazol-5-yl)-1-N-(4-methylsulfonylphenyl)hexane-1,3-diamine
CID 143370535
N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
CID 89118415
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379
2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
CID 59230144

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide (CID 70939628) is N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is GZWARLQAPNIJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-16(2,3)23(21,22)19-10-6-4-5-9-17-14-7-8-15-13(11-14)12-18-20-15/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide?
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).