4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide

C15H20BrN3O2S — CID 58561364

IUPAC4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2S/c1-4-5-6-14-15(11(2)19(3)17-14)18-22(20,21)13-9-7-12(16)8-10-13/h7-10,18H,4-6H2,1-3H3
InChIKeyKKZWQBCXALOVRL-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.63
Rot. Bonds6

About 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561364) has the molecular formula C15H20BrN3O2S and a molecular weight of 386.32 g/mol. Its IUPAC name is 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561364
Molecular FormulaC15H20BrN3O2S
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC Name4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2S/c1-4-5-6-14-15(11(2)19(3)17-14)18-22(20,21)13-9-7-12(16)8-10-13/h7-10,18H,4-6H2,1-3H3
InChIKeyKKZWQBCXALOVRL-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
CID 58561331
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 166213875
N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 58561353
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
4-[4-(azepan-4-yl)butyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
CID 129173615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide (CID 58561364) is 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide is CCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is KKZWQBCXALOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2S/c1-4-5-6-14-15(11(2)19(3)17-14)18-22(20,21)13-9-7-12(16)8-10-13/h7-10,18H,4-6H2,1-3H3.
What are the key properties of 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 386.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).