3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

C13H19BrN2O2S — CID 47350084

IUPAC3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O2S/c1-2-16-8-4-6-12(10-16)15-19(17,18)13-7-3-5-11(14)9-13/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3
InChIKeyZUJFFBKBVZCVAL-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.21
Rot. Bonds4

About 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (PubChem CID 47350084) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
PubChem CID47350084
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O2S/c1-2-16-8-4-6-12(10-16)15-19(17,18)13-7-3-5-11(14)9-13/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3
InChIKeyZUJFFBKBVZCVAL-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (CID 47350084) is 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is ZUJFFBKBVZCVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-2-16-8-4-6-12(10-16)15-19(17,18)13-7-3-5-11(14)9-13/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3.
What are the key properties of 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 47350084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).