N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide

C23H39NO2SSi — CID 175159039

IUPACN,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C23H39NO2SSi/c1-9-15-24(16-10-2)27(25,26)23-13-11-12-22(18-23)14-17-28(19(3)4,20(5)6)21(7)8/h11-13,18-21H,9-10,15-16H2,1-8H3
InChIKeyYETSCSXHGSFWEZ-UHFFFAOYSA-N
MW421.72 g/mol
LogP6.07
Rot. Bonds9

About N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide

N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide (PubChem CID 175159039) has the molecular formula C23H39NO2SSi and a molecular weight of 421.72 g/mol. Its IUPAC name is N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide
PubChem CID175159039
Molecular FormulaC23H39NO2SSi
Molecular Weight421.72 g/mol
Exact Mass421.25
IUPAC NameN,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C23H39NO2SSi/c1-9-15-24(16-10-2)27(25,26)23-13-11-12-22(18-23)14-17-28(19(3)4,20(5)6)21(7)8/h11-13,18-21H,9-10,15-16H2,1-8H3
InChIKeyYETSCSXHGSFWEZ-UHFFFAOYSA-N
XLogP6.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
CID 54926868
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60844426
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
N,N-dipropylbenzenesulfonamide
CID 4053954
3-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447399
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide?
The IUPAC name of N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide (CID 175159039) is N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide.
What is the SMILES notation for N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide?
The canonical SMILES for N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide?
The InChIKey is YETSCSXHGSFWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2SSi/c1-9-15-24(16-10-2)27(25,26)23-13-11-12-22(18-23)14-17-28(19(3)4,20(5)6)21(7)8/h11-13,18-21H,9-10,15-16H2,1-8H3.
What are the key properties of N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide?
N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide has a molecular weight of 421.72 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide is sourced from PubChem (CID 175159039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).