5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide

C17H17ClN2O4S2 — CID 94664231

IUPAC5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C17H17ClN2O4S2/c1-2-17(10-9-14(21)19-16(17)22)11-3-5-12(6-4-11)20-26(23,24)15-8-7-13(18)25-15/h3-8,20H,2,9-10H2,1H3,(H,19,21,22)/t17-/m0/s1
InChIKeyZBKOGBIXFKCFRG-KRWDZBQOSA-N
MW412.92 g/mol
LogP3.29
Rot. Bonds5

About 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 94664231) has the molecular formula C17H17ClN2O4S2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide
PubChem CID94664231
Molecular FormulaC17H17ClN2O4S2
Molecular Weight412.92 g/mol
Exact Mass412.03
IUPAC Name5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C17H17ClN2O4S2/c1-2-17(10-9-14(21)19-16(17)22)11-3-5-12(6-4-11)20-26(23,24)15-8-7-13(18)25-15/h3-8,20H,2,9-10H2,1H3,(H,19,21,22)/t17-/m0/s1
InChIKeyZBKOGBIXFKCFRG-KRWDZBQOSA-N
XLogP3.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 40517909
2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid
CID 10811829
3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570697
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
CID 46384149
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
CID 110405814
3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
CID 122286623
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide (CID 94664231) is 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide is CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ZBKOGBIXFKCFRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17ClN2O4S2/c1-2-17(10-9-14(21)19-16(17)22)11-3-5-12(6-4-11)20-26(23,24)15-8-7-13(18)25-15/h3-8,20H,2,9-10H2,1H3,(H,19,21,22)/t17-/m0/s1.
What are the key properties of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 412.92 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 94664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).