N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide

C15H26N2O2S — CID 70939729

IUPACN-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)20(18,19)17-13-9-5-8-12-16-14-10-6-4-7-11-14/h4,6-7,10-11,16-17H,5,8-9,12-13H2,1-3H3
InChIKeyALZROTTWKDMLKX-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.99
Rot. Bonds8

About N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide

N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide (PubChem CID 70939729) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
PubChem CID70939729
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)20(18,19)17-13-9-5-8-12-16-14-10-6-4-7-11-14/h4,6-7,10-11,16-17H,5,8-9,12-13H2,1-3H3
InChIKeyALZROTTWKDMLKX-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[4-(2,5-dihydropyrrol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70938875
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
CID 59230144
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
N-[5-[4-[bis(2-hydroxyethyl)amino]anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939625
2-methyl-N-[5-[4-(4-methylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide
CID 59230957
N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939642
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
CID 70939637
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
5-anilinopentane-1-sulfonyl chloride
CID 88814944
N-nonadecylaniline
CID 54509054
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939628

Frequently Asked Questions

What is the IUPAC name of N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide (CID 70939729) is N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNc1ccccc1.
What is the InChIKey of N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide?
The InChIKey is ALZROTTWKDMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,3)20(18,19)17-13-9-5-8-12-16-14-10-6-4-7-11-14/h4,6-7,10-11,16-17H,5,8-9,12-13H2,1-3H3.
What are the key properties of N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide?
N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).