2-butan-2-yl-3-butylbenzenesulfonamide

C14H23NO2S — CID 69467490

IUPAC2-butan-2-yl-3-butylbenzenesulfonamide
SMILESCCCCc1cccc(S(N)(=O)=O)c1C(C)CC
InChIInChI=1S/C14H23NO2S/c1-4-6-8-12-9-7-10-13(18(15,16)17)14(12)11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17)
InChIKeyFINNQZXDFJHYMS-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.19
Rot. Bonds6

About 2-butan-2-yl-3-butylbenzenesulfonamide

2-butan-2-yl-3-butylbenzenesulfonamide (PubChem CID 69467490) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-butan-2-yl-3-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-butan-2-yl-3-butylbenzenesulfonamide
PubChem CID69467490
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-butan-2-yl-3-butylbenzenesulfonamide
SMILESCCCCc1cccc(S(N)(=O)=O)c1C(C)CC
InChIInChI=1S/C14H23NO2S/c1-4-6-8-12-9-7-10-13(18(15,16)17)14(12)11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17)
InChIKeyFINNQZXDFJHYMS-UHFFFAOYSA-N
XLogP3.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-nonylbenzenesulfonamide
CID 70447042
2-butyl-5-propan-2-ylbenzenesulfonamide
CID 142683434
3-(3-bromopropyl)-2-methylbenzenesulfonamide
CID 164925582
1-butyl-3-methyl-2-propan-2-ylbenzene
CID 123934054
3-(3-amino-4-chlorododecyl)-2-methylbenzenesulfonamide
CID 57359714
2,3-dibutylbenzenesulfonic acid;tributyl(methyl)phosphanium
CID 174810947
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
3-butyl-2-sulfamoylbenzamide
CID 122670193
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
potassium;2-butylbenzenesulfonic acid;hydride
CID 173092606
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-butylbenzenesulfonamide?
The IUPAC name of 2-butan-2-yl-3-butylbenzenesulfonamide (CID 69467490) is 2-butan-2-yl-3-butylbenzenesulfonamide.
What is the SMILES notation for 2-butan-2-yl-3-butylbenzenesulfonamide?
The canonical SMILES for 2-butan-2-yl-3-butylbenzenesulfonamide is CCCCc1cccc(S(N)(=O)=O)c1C(C)CC.
What is the InChIKey of 2-butan-2-yl-3-butylbenzenesulfonamide?
The InChIKey is FINNQZXDFJHYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-6-8-12-9-7-10-13(18(15,16)17)14(12)11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-butan-2-yl-3-butylbenzenesulfonamide?
2-butan-2-yl-3-butylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-butylbenzenesulfonamide is sourced from PubChem (CID 69467490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).