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

C14H17ClN2O2S2 — CID 120722540

IUPAC5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide
SMILESCC1CCNCC1NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C14H17ClN2O2S2/c1-9-4-5-16-8-12(9)17-21(18,19)14-7-10-6-11(15)2-3-13(10)20-14/h2-3,6-7,9,12,16-17H,4-5,8H2,1H3
InChIKeyYVRXXKSETPNUEG-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.83
Rot. Bonds3

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

5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide (PubChem CID 120722540) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide
PubChem CID120722540
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide
SMILESCC1CCNCC1NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C14H17ClN2O2S2/c1-9-4-5-16-8-12(9)17-21(18,19)14-7-10-6-11(15)2-3-13(10)20-14/h2-3,6-7,9,12,16-17H,4-5,8H2,1H3
InChIKeyYVRXXKSETPNUEG-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-2-sulfonamide
CID 119985846
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722836
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120723014
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723013
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 120724757
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
CID 120723047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide (CID 120722540) is 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide is CC1CCNCC1NS(=O)(=O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide?
The InChIKey is YVRXXKSETPNUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9-4-5-16-8-12(9)17-21(18,19)14-7-10-6-11(15)2-3-13(10)20-14/h2-3,6-7,9,12,16-17H,4-5,8H2,1H3.
What are the key properties of 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide?
5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 120722540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).