5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride

C10H16BrClN2O2S2 — CID 120724757

IUPAC5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-7-6-12-5-4-8(7)13-17(14,15)10-3-2-9(11)16-10;/h2-3,7-8,12-13H,4-6H2,1H3;1H
InChIKeyKKCMYBBMVSDCGU-UHFFFAOYSA-N
MW375.74 g/mol
LogP2.21
Rot. Bonds3

About 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride

5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120724757) has the molecular formula C10H16BrClN2O2S2 and a molecular weight of 375.74 g/mol. Its IUPAC name is 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120724757
Molecular FormulaC10H16BrClN2O2S2
Molecular Weight375.74 g/mol
Exact Mass373.95
IUPAC Name5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-7-6-12-5-4-8(7)13-17(14,15)10-3-2-9(11)16-10;/h2-3,7-8,12-13H,4-6H2,1H3;1H
InChIKeyKKCMYBBMVSDCGU-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
CID 120725028
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride (CID 120724757) is 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride is CC1CNCCC1NS(=O)(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is KKCMYBBMVSDCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2.ClH/c1-7-6-12-5-4-8(7)13-17(14,15)10-3-2-9(11)16-10;/h2-3,7-8,12-13H,4-6H2,1H3;1H.
What are the key properties of 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride?
5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120724757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).