N-prop-2-ynyl-1-benzothiophene-3-sulfonamide

C11H9NO2S2 — CID 134943057

IUPACN-prop-2-ynyl-1-benzothiophene-3-sulfonamide
SMILESC#CCNS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C11H9NO2S2/c1-2-7-12-16(13,14)11-8-15-10-6-4-3-5-9(10)11/h1,3-6,8,12H,7H2
InChIKeyJBSPPNHDADMXPN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.81
Rot. Bonds3

About N-prop-2-ynyl-1-benzothiophene-3-sulfonamide

N-prop-2-ynyl-1-benzothiophene-3-sulfonamide (PubChem CID 134943057) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-prop-2-ynyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1-benzothiophene-3-sulfonamide
PubChem CID134943057
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC NameN-prop-2-ynyl-1-benzothiophene-3-sulfonamide
SMILESC#CCNS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C11H9NO2S2/c1-2-7-12-16(13,14)11-8-15-10-6-4-3-5-9(10)11/h1,3-6,8,12H,7H2
InChIKeyJBSPPNHDADMXPN-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-benzothiophen-3-ylsulfonylamino)-2-ethylbutanoic acid
CID 166236422
1-benzothiophen-3-yl-chloro-methylidene-oxo-λ6-sulfane
CID 143711976
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
(2R)-2-(1-benzothiophen-3-ylsulfonylamino)-4-methylpentanoic acid
CID 120968771
S-[2-[4-(1-benzothiophen-3-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11718384
1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide
CID 174175786
2-[1-benzothiophen-3-ylsulfonyl(methyl)amino]acetic acid
CID 22662727
N-(1-benzothiophen-3-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3874820
N-(1-benzothiophen-3-ylmethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3408340
5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide
CID 170206165
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-prop-2-ynyl-1-benzothiophene-3-sulfonamide (CID 134943057) is N-prop-2-ynyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-prop-2-ynyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-prop-2-ynyl-1-benzothiophene-3-sulfonamide is C#CCNS(=O)(=O)c1csc2ccccc12.
What is the InChIKey of N-prop-2-ynyl-1-benzothiophene-3-sulfonamide?
The InChIKey is JBSPPNHDADMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-2-7-12-16(13,14)11-8-15-10-6-4-3-5-9(10)11/h1,3-6,8,12H,7H2.
What are the key properties of N-prop-2-ynyl-1-benzothiophene-3-sulfonamide?
N-prop-2-ynyl-1-benzothiophene-3-sulfonamide has a molecular weight of 251.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 134943057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).