3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide

C13H17BrN2O4S — CID 65374549

IUPAC3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1c(Br)cc(C(=O)N2CCCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17BrN2O4S/c1-20-12-10(14)7-9(8-11(12)21(15,18)19)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H2,15,18,19)
InChIKeyLQMCTAPKYYJPHD-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.73
Rot. Bonds3

About 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide

3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 65374549) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID65374549
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1c(Br)cc(C(=O)N2CCCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17BrN2O4S/c1-20-12-10(14)7-9(8-11(12)21(15,18)19)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H2,15,18,19)
InChIKeyLQMCTAPKYYJPHD-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65373779
2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367398
3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide
CID 65386150
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
5-(azocane-1-carbonyl)-2-bromobenzenesulfonyl chloride
CID 65372007
pentan-2-yl 3-bromo-4-methoxy-5-sulfamoylbenzoate
CID 102988562
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 65374549) is 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide is COc1c(Br)cc(C(=O)N2CCCCC2)cc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is LQMCTAPKYYJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-20-12-10(14)7-9(8-11(12)21(15,18)19)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H2,15,18,19).
What are the key properties of 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide?
3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 377.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65374549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).