5-chloro-N-hex-5-ynylthiophene-2-sulfonamide

C10H12ClNO2S2 — CID 103756996

IUPAC5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S2/c1-2-3-4-5-8-12-16(13,14)10-7-6-9(11)15-10/h1,6-7,12H,3-5,8H2
InChIKeyFPELWVQWWCINNN-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.48
Rot. Bonds6

About 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide

5-chloro-N-hex-5-ynylthiophene-2-sulfonamide (PubChem CID 103756996) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
PubChem CID103756996
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S2/c1-2-3-4-5-8-12-16(13,14)10-7-6-9(11)15-10/h1,6-7,12H,3-5,8H2
InChIKeyFPELWVQWWCINNN-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.48
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

5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756970
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
2-amino-5-chloro-N-hex-5-ynylbenzenesulfonamide
CID 106208461
N-hex-5-ynyl-2-hydroxybenzenesulfonamide
CID 114159058
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
2-chloro-5-cyano-N-hex-5-ynylbenzenesulfonamide
CID 104919304
5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
CID 4996654
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
4-chloro-3-(hex-5-ynylsulfamoyl)benzoic acid
CID 106208979
5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide (CID 103756996) is 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide is C#CCCCCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide?
The InChIKey is FPELWVQWWCINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c1-2-3-4-5-8-12-16(13,14)10-7-6-9(11)15-10/h1,6-7,12H,3-5,8H2.
What are the key properties of 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide?
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide has a molecular weight of 277.80 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hex-5-ynylthiophene-2-sulfonamide is sourced from PubChem (CID 103756996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).