2-butyl-1-benzothiophene-3-sulfonamide

C12H15NO2S2 — CID 18331900

IUPAC2-butyl-1-benzothiophene-3-sulfonamide
SMILESCCCCc1sc2ccccc2c1S(N)(=O)=O
InChIInChI=1S/C12H15NO2S2/c1-2-3-7-11-12(17(13,14)15)9-6-4-5-8-10(9)16-11/h4-6,8H,2-3,7H2,1H3,(H2,13,14,15)
InChIKeyFWEYUKWXJZJXDG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.89
Rot. Bonds4

About 2-butyl-1-benzothiophene-3-sulfonamide

2-butyl-1-benzothiophene-3-sulfonamide (PubChem CID 18331900) has the molecular formula C12H15NO2S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-butyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-butyl-1-benzothiophene-3-sulfonamide
PubChem CID18331900
Molecular FormulaC12H15NO2S2
Molecular Weight269.39 g/mol
Exact Mass269.05
IUPAC Name2-butyl-1-benzothiophene-3-sulfonamide
SMILESCCCCc1sc2ccccc2c1S(N)(=O)=O
InChIInChI=1S/C12H15NO2S2/c1-2-3-7-11-12(17(13,14)15)9-6-4-5-8-10(9)16-11/h4-6,8H,2-3,7H2,1H3,(H2,13,14,15)
InChIKeyFWEYUKWXJZJXDG-UHFFFAOYSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-butylthiophene-3-sulfonamide
CID 174304091
2,3-dipropylthiochromen-4-one
CID 101499421
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-sulfonamide
CID 106032317
3-[3,3,4,4,5,5-hexafluoro-2-(2-hexyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-hexyl-1-benzothiophene
CID 101397460
3-butylthioxanthen-9-one
CID 122699511
3-butyl-1-benzothiophene-2-carbonyl chloride
CID 82364907
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine
CID 62424421
2,3-di(nonyl)naphthalene-1-sulfonamide
CID 163976161
N,N,2-trimethyl-1-benzothiophene-3-sulfonamide
CID 71973602
2,7-dimethyl-1-benzothiophene-3-sulfonamide
CID 71755810
[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1-benzothiophen-2-yl]methanamine
CID 79180012
4-amino-3-decylnaphthalene-1,2-disulfonic acid
CID 163283825

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-butyl-1-benzothiophene-3-sulfonamide (CID 18331900) is 2-butyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-butyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-butyl-1-benzothiophene-3-sulfonamide is CCCCc1sc2ccccc2c1S(N)(=O)=O.
What is the InChIKey of 2-butyl-1-benzothiophene-3-sulfonamide?
The InChIKey is FWEYUKWXJZJXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S2/c1-2-3-7-11-12(17(13,14)15)9-6-4-5-8-10(9)16-11/h4-6,8H,2-3,7H2,1H3,(H2,13,14,15).
What are the key properties of 2-butyl-1-benzothiophene-3-sulfonamide?
2-butyl-1-benzothiophene-3-sulfonamide has a molecular weight of 269.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 18331900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).