2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide

C14H24N2O2S — CID 62119140

IUPAC2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-9-12(6-2)15-13-10-7-8-11-14(13)19(17,18)16(3)4/h7-8,10-12,15H,5-6,9H2,1-4H3
InChIKeyADHARLBCPNBMIJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.93
Rot. Bonds7

About 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide

2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 62119140) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID62119140
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-9-12(6-2)15-13-10-7-8-11-14(13)19(17,18)16(3)4/h7-8,10-12,15H,5-6,9H2,1-4H3
InChIKeyADHARLBCPNBMIJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141
2-(but-3-yn-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 114417934
2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
CID 61479924
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-chloro-N-hexan-3-ylaniline
CID 91251146
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
CID 63202014
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(hexan-3-ylamino)benzoic acid
CID 62230532
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide (CID 62119140) is 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide is CCCC(CC)Nc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ADHARLBCPNBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-9-12(6-2)15-13-10-7-8-11-14(13)19(17,18)16(3)4/h7-8,10-12,15H,5-6,9H2,1-4H3.
What are the key properties of 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 62119140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).