N-but-3-ynyl-3-methoxybenzenesulfonamide

C11H13NO3S — CID 90537996

IUPACN-but-3-ynyl-3-methoxybenzenesulfonamide
SMILESC#CCCNS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C11H13NO3S/c1-3-4-8-12-16(13,14)11-7-5-6-10(9-11)15-2/h1,5-7,9,12H,4,8H2,2H3
InChIKeyYCLJAUIWGPCBMS-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.00
Rot. Bonds5

About N-but-3-ynyl-3-methoxybenzenesulfonamide

N-but-3-ynyl-3-methoxybenzenesulfonamide (PubChem CID 90537996) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-but-3-ynyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-ynyl-3-methoxybenzenesulfonamide
PubChem CID90537996
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-but-3-ynyl-3-methoxybenzenesulfonamide
SMILESC#CCCNS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C11H13NO3S/c1-3-4-8-12-16(13,14)11-7-5-6-10(9-11)15-2/h1,5-7,9,12H,4,8H2,2H3
InChIKeyYCLJAUIWGPCBMS-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
N-[4-(3-methoxyphenyl)but-3-ynyl]-4-methylbenzenesulfonamide
CID 101430964
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-3-methoxybenzenesulfonamide?
The IUPAC name of N-but-3-ynyl-3-methoxybenzenesulfonamide (CID 90537996) is N-but-3-ynyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-but-3-ynyl-3-methoxybenzenesulfonamide?
The canonical SMILES for N-but-3-ynyl-3-methoxybenzenesulfonamide is C#CCCNS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of N-but-3-ynyl-3-methoxybenzenesulfonamide?
The InChIKey is YCLJAUIWGPCBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-3-4-8-12-16(13,14)11-7-5-6-10(9-11)15-2/h1,5-7,9,12H,4,8H2,2H3.
What are the key properties of N-but-3-ynyl-3-methoxybenzenesulfonamide?
N-but-3-ynyl-3-methoxybenzenesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 90537996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).