5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

C24H27ClN2O3S2 — CID 71454997

IUPAC5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C24H27ClN2O3S2/c25-23-10-11-24(31-23)32(28,29)26-18-19-12-14-27(15-13-19)16-17-30-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-11,19,26H,12-18H2
InChIKeyKMOMTWGPDMMDNW-UHFFFAOYSA-N
MW491.08 g/mol
LogP5.14
Rot. Bonds9

About 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 71454997) has the molecular formula C24H27ClN2O3S2 and a molecular weight of 491.08 g/mol. Its IUPAC name is 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID71454997
Molecular FormulaC24H27ClN2O3S2
Molecular Weight491.08 g/mol
Exact Mass490.12
IUPAC Name5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C24H27ClN2O3S2/c25-23-10-11-24(31-23)32(28,29)26-18-19-12-14-27(15-13-19)16-17-30-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-11,19,26H,12-18H2
InChIKeyKMOMTWGPDMMDNW-UHFFFAOYSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.08
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[5-(2-morpholin-4-ylethoxy)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44388781
5-chloro-N-[5-(2-piperidin-1-ylethoxy)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44391880
5-chloro-N-[5-[2-(2-methylpiperidin-1-yl)ethoxy]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44391894
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449629
5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449645
5-chloro-N-[(3R)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451459
5-chloro-N-[(3R)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451460
5-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71453252
5-chloro-N-[(3S)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453282
3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71454998
N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71456781
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-3-chlorobenzenesulfonamide
CID 127026071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 71454997) is 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is KMOMTWGPDMMDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3S2/c25-23-10-11-24(31-23)32(28,29)26-18-19-12-14-27(15-13-19)16-17-30-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-11,19,26H,12-18H2.
What are the key properties of 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 491.08 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71454997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).