4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide

C13H17BrN2O4S — CID 60729832

IUPAC4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1
InChIInChI=1S/C13H17BrN2O4S/c1-20-9-4-6-16(7-5-9)13(17)11-8-10(21(15,18)19)2-3-12(11)14/h2-3,8-9H,4-7H2,1H3,(H2,15,18,19)
InChIKeyJZOMZDTTYRQEAW-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.35
Rot. Bonds3

About 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide

4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 60729832) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
PubChem CID60729832
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
SMILESCOC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1
InChIInChI=1S/C13H17BrN2O4S/c1-20-9-4-6-16(7-5-9)13(17)11-8-10(21(15,18)19)2-3-12(11)14/h2-3,8-9H,4-7H2,1H3,(H2,15,18,19)
InChIKeyJZOMZDTTYRQEAW-UHFFFAOYSA-N
XLogP1.35
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
(2-bromo-5-sulfanylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 107022638
4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 62922553
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-4-bromobenzenesulfonamide
CID 9295119
4-bromo-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 31827988
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787
4-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26534473
3,4-difluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540940
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
methyl 1-[2-(2-bromo-5-sulfamoylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 42985830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide (CID 60729832) is 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide is COC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1.
What is the InChIKey of 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is JZOMZDTTYRQEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-20-9-4-6-16(7-5-9)13(17)11-8-10(21(15,18)19)2-3-12(11)14/h2-3,8-9H,4-7H2,1H3,(H2,15,18,19).
What are the key properties of 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide?
4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 377.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60729832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).