5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide

C18H19ClN2O4S2 — CID 172887363

IUPAC5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESC=CC(=O)N1CCC(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CC1
InChIInChI=1S/C18H19ClN2O4S2/c1-2-17(22)21-11-9-15(10-12-21)25-14-5-3-13(4-6-14)20-27(23,24)18-8-7-16(19)26-18/h2-8,15,20H,1,9-12H2
InChIKeyARGPDSQAUAGNSP-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.76
Rot. Bonds6

About 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide (PubChem CID 172887363) has the molecular formula C18H19ClN2O4S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
PubChem CID172887363
Molecular FormulaC18H19ClN2O4S2
Molecular Weight426.95 g/mol
Exact Mass426.05
IUPAC Name5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESC=CC(=O)N1CCC(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CC1
InChIInChI=1S/C18H19ClN2O4S2/c1-2-17(22)21-11-9-15(10-12-21)25-14-5-3-13(4-6-14)20-27(23,24)18-8-7-16(19)26-18/h2-8,15,20H,1,9-12H2
InChIKeyARGPDSQAUAGNSP-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide (CID 172887363) is 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide is C=CC(=O)N1CCC(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CC1.
What is the InChIKey of 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The InChIKey is ARGPDSQAUAGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S2/c1-2-17(22)21-11-9-15(10-12-21)25-14-5-3-13(4-6-14)20-27(23,24)18-8-7-16(19)26-18/h2-8,15,20H,1,9-12H2.
What are the key properties of 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide has a molecular weight of 426.95 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 172887363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).