4-(nonan-2-ylamino)benzenesulfonamide

C15H26N2O2S — CID 43129810

IUPAC4-(nonan-2-ylamino)benzenesulfonamide
SMILESCCCCCCCC(C)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-4-5-6-7-8-13(2)17-14-9-11-15(12-10-14)20(16,18)19/h9-13,17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyHUPWEKSBCJJAOL-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.49
Rot. Bonds9

About 4-(nonan-2-ylamino)benzenesulfonamide

4-(nonan-2-ylamino)benzenesulfonamide (PubChem CID 43129810) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(nonan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(nonan-2-ylamino)benzenesulfonamide
PubChem CID43129810
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(nonan-2-ylamino)benzenesulfonamide
SMILESCCCCCCCC(C)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-4-5-6-7-8-13(2)17-14-9-11-15(12-10-14)20(16,18)19/h9-13,17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyHUPWEKSBCJJAOL-UHFFFAOYSA-N
XLogP3.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.49
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

4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
4-nitro-N-nonan-2-ylaniline
CID 43719788
N-hexan-2-yl-4-(trifluoromethylsulfonyl)aniline
CID 63541039
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817

Frequently Asked Questions

What is the IUPAC name of 4-(nonan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-(nonan-2-ylamino)benzenesulfonamide (CID 43129810) is 4-(nonan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(nonan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(nonan-2-ylamino)benzenesulfonamide is CCCCCCCC(C)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(nonan-2-ylamino)benzenesulfonamide?
The InChIKey is HUPWEKSBCJJAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-4-5-6-7-8-13(2)17-14-9-11-15(12-10-14)20(16,18)19/h9-13,17H,3-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-(nonan-2-ylamino)benzenesulfonamide?
4-(nonan-2-ylamino)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nonan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43129810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).