N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C16H22N2O3S2 — CID 47061661

IUPACN-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)CCOCCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3S2/c1-14(2)8-11-21-12-10-18(16-17-9-13-22-16)23(19,20)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3
InChIKeyDLBUULJUOQLNLC-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.40
Rot. Bonds9

About N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 47061661) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID47061661
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)CCOCCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3S2/c1-14(2)8-11-21-12-10-18(16-17-9-13-22-16)23(19,20)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3
InChIKeyDLBUULJUOQLNLC-UHFFFAOYSA-N
XLogP3.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 47061661) is N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)CCOCCN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DLBUULJUOQLNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-14(2)8-11-21-12-10-18(16-17-9-13-22-16)23(19,20)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 47061661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).