3-(heptylamino)-N,N-dimethylbenzenesulfonamide

C15H26N2O2S — CID 43715567

IUPAC3-(heptylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCCCCCNc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-4-5-6-7-8-12-16-14-10-9-11-15(13-14)20(18,19)17(2)3/h9-11,13,16H,4-8,12H2,1-3H3
InChIKeyBYVSTIXGIWUURI-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.32
Rot. Bonds9

About 3-(heptylamino)-N,N-dimethylbenzenesulfonamide

3-(heptylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 43715567) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(heptylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(heptylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID43715567
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(heptylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCCCCCCNc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-4-5-6-7-8-12-16-14-10-9-11-15(13-14)20(18,19)17(2)3/h9-11,13,16H,4-8,12H2,1-3H3
InChIKeyBYVSTIXGIWUURI-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea
CID 8655058
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
1,1-dibutyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8624419
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
3-bromo-N-octylaniline
CID 43129310
3-N-octadecylbenzene-1,3-diamine
CID 154090035
[3-(octylamino)phenyl]boronic acid
CID 70041370
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686

Frequently Asked Questions

What is the IUPAC name of 3-(heptylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(heptylamino)-N,N-dimethylbenzenesulfonamide (CID 43715567) is 3-(heptylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(heptylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(heptylamino)-N,N-dimethylbenzenesulfonamide is CCCCCCCNc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(heptylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is BYVSTIXGIWUURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-5-6-7-8-12-16-14-10-9-11-15(13-14)20(18,19)17(2)3/h9-11,13,16H,4-8,12H2,1-3H3.
What are the key properties of 3-(heptylamino)-N,N-dimethylbenzenesulfonamide?
3-(heptylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43715567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).