N,4-bis(3-methylbutyl)benzenesulfonamide

C16H27NO2S — CID 90680513

IUPACN,4-bis(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(CCC(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-13(2)5-6-15-7-9-16(10-8-15)20(18,19)17-12-11-14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyHVONUMWBDNHFHZ-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.60
Rot. Bonds8

About N,4-bis(3-methylbutyl)benzenesulfonamide

N,4-bis(3-methylbutyl)benzenesulfonamide (PubChem CID 90680513) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N,4-bis(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-bis(3-methylbutyl)benzenesulfonamide
PubChem CID90680513
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN,4-bis(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(CCC(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-13(2)5-6-15-7-9-16(10-8-15)20(18,19)17-12-11-14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyHVONUMWBDNHFHZ-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N,4-bis(3-methylbutyl)benzenesulfonamide (CID 90680513) is N,4-bis(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N,4-bis(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N,4-bis(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccc(CCC(C)C)cc1.
What is the InChIKey of N,4-bis(3-methylbutyl)benzenesulfonamide?
The InChIKey is HVONUMWBDNHFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-13(2)5-6-15-7-9-16(10-8-15)20(18,19)17-12-11-14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of N,4-bis(3-methylbutyl)benzenesulfonamide?
N,4-bis(3-methylbutyl)benzenesulfonamide has a molecular weight of 297.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 90680513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).