4-chloro-N-prop-2-ynoxybenzenesulfonamide

C9H8ClNO3S — CID 167841296

IUPAC4-chloro-N-prop-2-ynoxybenzenesulfonamide
SMILESC#CCONS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3S/c1-2-7-14-11-15(12,13)9-5-3-8(10)4-6-9/h1,3-6,11H,7H2
InChIKeySWNZNXXAFORBPW-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.18
Rot. Bonds4

About 4-chloro-N-prop-2-ynoxybenzenesulfonamide

4-chloro-N-prop-2-ynoxybenzenesulfonamide (PubChem CID 167841296) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 4-chloro-N-prop-2-ynoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-prop-2-ynoxybenzenesulfonamide
PubChem CID167841296
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name4-chloro-N-prop-2-ynoxybenzenesulfonamide
SMILESC#CCONS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3S/c1-2-7-14-11-15(12,13)9-5-3-8(10)4-6-9/h1,3-6,11H,7H2
InChIKeySWNZNXXAFORBPW-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
4-chloro-N-pent-4-yn-2-ylbenzenesulfonamide
CID 115662676
4-chloro-N-[(2S)-2-chloro-2-cyanoethyl]benzenesulfonamide
CID 1210342
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide
CID 124927199
4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide
CID 150126436
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841962
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
CID 134103778
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide
CID 11752168
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-ynoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-prop-2-ynoxybenzenesulfonamide (CID 167841296) is 4-chloro-N-prop-2-ynoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-prop-2-ynoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-prop-2-ynoxybenzenesulfonamide is C#CCONS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-prop-2-ynoxybenzenesulfonamide?
The InChIKey is SWNZNXXAFORBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-7-14-11-15(12,13)9-5-3-8(10)4-6-9/h1,3-6,11H,7H2.
What are the key properties of 4-chloro-N-prop-2-ynoxybenzenesulfonamide?
4-chloro-N-prop-2-ynoxybenzenesulfonamide has a molecular weight of 245.69 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-ynoxybenzenesulfonamide is sourced from PubChem (CID 167841296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).