5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride

C14H18Cl2N2O2S2 — CID 119968668

IUPAC5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCNC1)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C14H17ClN2O2S2.ClH/c15-12-3-4-13-11(6-12)7-14(20-13)21(18,19)17-9-10-2-1-5-16-8-10;/h3-4,6-7,10,16-17H,1-2,5,8-9H2;1H
InChIKeyQLEQRBUFGQDIOH-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride

5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride (PubChem CID 119968668) has the molecular formula C14H18Cl2N2O2S2 and a molecular weight of 381.35 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
PubChem CID119968668
Molecular FormulaC14H18Cl2N2O2S2
Molecular Weight381.35 g/mol
Exact Mass380.02
IUPAC Name5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCNC1)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C14H17ClN2O2S2.ClH/c15-12-3-4-13-11(6-12)7-14(20-13)21(18,19)17-9-10-2-1-5-16-8-10;/h3-4,6-7,10,16-17H,1-2,5,8-9H2;1H
InChIKeyQLEQRBUFGQDIOH-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide
CID 120722540
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119968782
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119962251
4-bromo-5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707871
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride (CID 119968668) is 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCNC1)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride?
The InChIKey is QLEQRBUFGQDIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2.ClH/c15-12-3-4-13-11(6-12)7-14(20-13)21(18,19)17-9-10-2-1-5-16-8-10;/h3-4,6-7,10,16-17H,1-2,5,8-9H2;1H.
What are the key properties of 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride?
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride has a molecular weight of 381.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119968668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).