4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide

C14H19BrN2O3S — CID 62922553

IUPAC4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1(C)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-14(2)5-7-17(8-6-14)13(18)11-9-10(21(16,19)20)3-4-12(11)15/h3-4,9H,5-8H2,1-2H3,(H2,16,19,20)
InChIKeyJCQIFJCNZTZFLC-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.36
Rot. Bonds2

About 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide

4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 62922553) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID62922553
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1(C)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-14(2)5-7-17(8-6-14)13(18)11-9-10(21(16,19)20)3-4-12(11)15/h3-4,9H,5-8H2,1-2H3,(H2,16,19,20)
InChIKeyJCQIFJCNZTZFLC-UHFFFAOYSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide (CID 62922553) is 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide is CC1(C)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1.
What is the InChIKey of 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is JCQIFJCNZTZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-14(2)5-7-17(8-6-14)13(18)11-9-10(21(16,19)20)3-4-12(11)15/h3-4,9H,5-8H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 375.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 62922553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).