3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H7BrClFN4O2S — CID 103077395

IUPAC3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1c(F)c(S(=O)(=O)Nc2ccn[nH]2)cc(Cl)c1Br
InChIInChI=1S/C9H7BrClFN4O2S/c10-7-4(11)3-5(8(12)9(7)13)19(17,18)16-6-1-2-14-15-6/h1-3H,13H2,(H2,14,15,16)
InChIKeyDZIJKSXTGSOUIY-UHFFFAOYSA-N
MW369.60 g/mol
LogP2.35
Rot. Bonds3

About 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide

3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 103077395) has the molecular formula C9H7BrClFN4O2S and a molecular weight of 369.60 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID103077395
Molecular FormulaC9H7BrClFN4O2S
Molecular Weight369.60 g/mol
Exact Mass367.91
IUPAC Name3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1c(F)c(S(=O)(=O)Nc2ccn[nH]2)cc(Cl)c1Br
InChIInChI=1S/C9H7BrClFN4O2S/c10-7-4(11)3-5(8(12)9(7)13)19(17,18)16-6-1-2-14-15-6/h1-3H,13H2,(H2,14,15,16)
InChIKeyDZIJKSXTGSOUIY-UHFFFAOYSA-N
XLogP2.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 103077169
3-amino-4-bromo-5-chloro-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 103077216
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394082
3-amino-4-bromo-5-chloro-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 103077173
4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 103077729
3-amino-4-bromo-5-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 103077773
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 103077395) is 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide is Nc1c(F)c(S(=O)(=O)Nc2ccn[nH]2)cc(Cl)c1Br.
What is the InChIKey of 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is DZIJKSXTGSOUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFN4O2S/c10-7-4(11)3-5(8(12)9(7)13)19(17,18)16-6-1-2-14-15-6/h1-3H,13H2,(H2,14,15,16).
What are the key properties of 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 369.60 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 103077395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).