N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide

C14H19NO2S2 — CID 143182513

IUPACN-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide
SMILESCCCCNS(=O)(=O)c1sc2ccc(C)cc2c1C
InChIInChI=1S/C14H19NO2S2/c1-4-5-8-15-19(16,17)14-11(3)12-9-10(2)6-7-13(12)18-14/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyXUIONPRPZARMLX-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.60
Rot. Bonds5

About N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide

N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide (PubChem CID 143182513) has the molecular formula C14H19NO2S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide
PubChem CID143182513
Molecular FormulaC14H19NO2S2
Molecular Weight297.44 g/mol
Exact Mass297.09
IUPAC NameN-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide
SMILESCCCCNS(=O)(=O)c1sc2ccc(C)cc2c1C
InChIInChI=1S/C14H19NO2S2/c1-4-5-8-15-19(16,17)14-11(3)12-9-10(2)6-7-13(12)18-14/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyXUIONPRPZARMLX-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.60
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

N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
5-chloro-3-methyl-N-(3-methylbut-3-enyl)-1-benzothiophene-2-sulfonamide
CID 89104378
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
CID 2824261
N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
CID 155203443
N-[2-(benzenesulfonyl)-4-chlorophenyl]-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 118074437
8-methyl-N-octyl-[1]benzothiolo[3,2-b][1]benzothiol-3-amine
CID 126613725
N-butyl-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 54926813
5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943437
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide (CID 143182513) is N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide is CCCCNS(=O)(=O)c1sc2ccc(C)cc2c1C.
What is the InChIKey of N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide?
The InChIKey is XUIONPRPZARMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-4-5-8-15-19(16,17)14-11(3)12-9-10(2)6-7-13(12)18-14/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide?
N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide has a molecular weight of 297.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 143182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).