5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide

C15H19ClN2O2S2 — CID 120586000

IUPAC5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C15H19ClN2O2S2/c1-9-7-12(5-6-17-9)18-22(19,20)15-10(2)21-14-4-3-11(16)8-13(14)15/h3-4,8-9,12,17-18H,5-7H2,1-2H3
InChIKeyJPTGTVANPGAMQD-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide

5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide (PubChem CID 120586000) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
PubChem CID120586000
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C15H19ClN2O2S2/c1-9-7-12(5-6-17-9)18-22(19,20)15-10(2)21-14-4-3-11(16)8-13(14)15/h3-4,8-9,12,17-18H,5-7H2,1-2H3
InChIKeyJPTGTVANPGAMQD-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine
CID 71975656
N-[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 24234501
5-chloro-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-methyl-1-benzothiophene-3-sulfonamide
CID 86815359
5-chloro-N-(6-oxopiperidin-3-yl)-1-benzothiophene-3-sulfonamide
CID 71860620
N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 71900487
5-chloro-N-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-hydroxypropyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 10151229
5-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 11236751
(2R,4R)-4-(5-chloro-1-benzothiophen-2-yl)-2-methylpiperidine
CID 20751440
(2R,4S)-4-(5-chloro-1-benzothiophen-2-yl)-2-methylpiperidine
CID 20751450
5-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 21091843
4-(5-Chloro-1-benzothiophen-2-yl)-6-methyl-1,2,3,6-tetrahydropyridine
CID 21865984
4-(5-Chloro-1-benzothiophen-2-yl)piperidine
CID 21865991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide (CID 120586000) is 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide is Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1CCNC(C)C1.
What is the InChIKey of 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
The InChIKey is JPTGTVANPGAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-9-7-12(5-6-17-9)18-22(19,20)15-10(2)21-14-4-3-11(16)8-13(14)15/h3-4,8-9,12,17-18H,5-7H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide has a molecular weight of 358.92 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 120586000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).