N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide

C16H23NO3S — CID 60822914

IUPACN-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H23NO3S/c1-3-5-13-17(4-2)21(19,20)16-11-9-15(10-12-16)8-6-7-14-18/h9-12,18H,3-5,7,13-14H2,1-2H3
InChIKeyFUFAVENWIAYWSW-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.23
Rot. Bonds7

About N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide

N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide (PubChem CID 60822914) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
PubChem CID60822914
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H23NO3S/c1-3-5-13-17(4-2)21(19,20)16-11-9-15(10-12-16)8-6-7-14-18/h9-12,18H,3-5,7,13-14H2,1-2H3
InChIKeyFUFAVENWIAYWSW-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.23
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

N-butyl-N-(2-hydroxyethyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61447827
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60844426
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
4-(4-hydroxybut-1-ynyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62335906
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
3-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447399
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
CID 102821702
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The IUPAC name of N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide (CID 60822914) is N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide is CCCCN(CC)S(=O)(=O)c1ccc(C#CCCO)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The InChIKey is FUFAVENWIAYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-5-13-17(4-2)21(19,20)16-11-9-15(10-12-16)8-6-7-14-18/h9-12,18H,3-5,7,13-14H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 60822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).