5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

C14H15ClN2O3S2 — CID 2161790

IUPAC5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O3S2/c15-13-5-6-14(21-13)22(18,19)16-11-1-3-12(4-2-11)17-7-9-20-10-8-17/h1-6,16H,7-10H2
InChIKeyLRMOXDZWZFSOSA-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.04
Rot. Bonds4

About 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide (PubChem CID 2161790) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
PubChem CID2161790
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O3S2/c15-13-5-6-14(21-13)22(18,19)16-11-1-3-12(4-2-11)17-7-9-20-10-8-17/h1-6,16H,7-10H2
InChIKeyLRMOXDZWZFSOSA-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

SF-22
CID 2111037
1-(4-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893728
5-Chloro-N-({(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-sulfonamide
CID 11619782
2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide
CID 2813371
3-chloro-4-(morpholin-4-yl)-N-(thiophen-2-ylmethyl)aniline
CID 755952
5-chloro-N-(4-(morpholinosulfonyl)phenyl)thiophene-2-carboxamide
CID 2147582
5-chloro-N-[3-(4-morpholinylsulfonyl)phenyl]-2-thiophenesulfonamide
CID 3607355
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
CID 779290
5-chloro-N-[2-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
CID 2124908
5-chloro-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
CID 4842368
N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 735898
1-(3-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 769077

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide (CID 2161790) is 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is LRMOXDZWZFSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c15-13-5-6-14(21-13)22(18,19)16-11-1-3-12(4-2-11)17-7-9-20-10-8-17/h1-6,16H,7-10H2.
What are the key properties of 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 358.87 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2161790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).