4-butylbenzenesulfonamide

C10H15NO2S — CID 2054776

IUPAC4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
InChIKeyIWEMSJAOIKQBBZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.68
Rot. Bonds4

About 4-butylbenzenesulfonamide

4-butylbenzenesulfonamide (PubChem CID 2054776) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-butylbenzenesulfonamide
PubChem CID2054776
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
InChIKeyIWEMSJAOIKQBBZ-UHFFFAOYSA-N
XLogP1.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butylbenzenesulfonamide?
The IUPAC name of 4-butylbenzenesulfonamide (CID 2054776) is 4-butylbenzenesulfonamide.
What is the SMILES notation for 4-butylbenzenesulfonamide?
The canonical SMILES for 4-butylbenzenesulfonamide is CCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-butylbenzenesulfonamide?
The InChIKey is IWEMSJAOIKQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 4-butylbenzenesulfonamide?
4-butylbenzenesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylbenzenesulfonamide is sourced from PubChem (CID 2054776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).