N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide

C17H14ClNO2S2 — CID 66906680

IUPACN-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14ClNO2S2/c1-2-12-19(23(20,21)13-8-4-3-5-9-13)17-16(18)14-10-6-7-11-15(14)22-17/h2-11H,1,12H2
InChIKeyGQZKAZRROIULEO-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.94
Rot. Bonds5

About N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide

N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 66906680) has the molecular formula C17H14ClNO2S2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide
PubChem CID66906680
Molecular FormulaC17H14ClNO2S2
Molecular Weight363.89 g/mol
Exact Mass363.02
IUPAC NameN-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14ClNO2S2/c1-2-12-19(23(20,21)13-8-4-3-5-9-13)17-16(18)14-10-6-7-11-15(14)22-17/h2-11H,1,12H2
InChIKeyGQZKAZRROIULEO-UHFFFAOYSA-N
XLogP4.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide (CID 66906680) is N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GQZKAZRROIULEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S2/c1-2-12-19(23(20,21)13-8-4-3-5-9-13)17-16(18)14-10-6-7-11-15(14)22-17/h2-11H,1,12H2.
What are the key properties of N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide?
N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 363.89 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-benzothiophen-2-yl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 66906680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).