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

C14H24N2O2S — CID 43784811

IUPAC3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCCC(C)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-6-8-12(2)15-13-9-7-10-14(11-13)19(17,18)16(3)4/h7,9-12,15H,5-6,8H2,1-4H3
InChIKeyUPCVFHKSEJSNNF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.93
Rot. Bonds7

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

3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 43784811) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID43784811
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCCC(C)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-6-8-12(2)15-13-9-7-10-14(11-13)19(17,18)16(3)4/h7,9-12,15H,5-6,8H2,1-4H3
InChIKeyUPCVFHKSEJSNNF-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

4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
1,1-dibutyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8624419
3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 103388445
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
3-ethynyl-N-hexan-2-ylaniline
CID 43755495
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946

Frequently Asked Questions

What is the IUPAC name of 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide (CID 43784811) is 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide is CCCCC(C)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is UPCVFHKSEJSNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-6-8-12(2)15-13-9-7-10-14(11-13)19(17,18)16(3)4/h7,9-12,15H,5-6,8H2,1-4H3.
What are the key properties of 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
3-(hexan-2-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 3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43784811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).