5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

C10H10BrN3O3S — CID 56684268

IUPAC5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C10H10BrN3O3S/c1-17-8-3-2-7(11)6-9(8)18(15,16)14-10-4-5-12-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyBSDSRCGVTCGRNG-UHFFFAOYSA-N
MW332.18 g/mol
LogP1.98
Rot. Bonds4

About 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 56684268) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID56684268
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C10H10BrN3O3S/c1-17-8-3-2-7(11)6-9(8)18(15,16)14-10-4-5-12-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyBSDSRCGVTCGRNG-UHFFFAOYSA-N
XLogP1.98
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
CID 96535919
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide
CID 25041486
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 56684268) is 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccn[nH]1.
What is the InChIKey of 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is BSDSRCGVTCGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c1-17-8-3-2-7(11)6-9(8)18(15,16)14-10-4-5-12-13-10/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 56684268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).