N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide

C10H10BrN3O2S — CID 3852469

IUPACN-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2[nH]ncc2Br)cc1
InChIInChI=1S/C10H10BrN3O2S/c1-7-2-4-8(5-3-7)17(15,16)14-10-9(11)6-12-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyRLGCUKMVLSVGBX-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.28
Rot. Bonds3

About N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide

N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 3852469) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
PubChem CID3852469
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2[nH]ncc2Br)cc1
InChIInChI=1S/C10H10BrN3O2S/c1-7-2-4-8(5-3-7)17(15,16)14-10-9(11)6-12-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyRLGCUKMVLSVGBX-UHFFFAOYSA-N
XLogP2.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide (CID 3852469) is N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2[nH]ncc2Br)cc1.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is RLGCUKMVLSVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c1-7-2-4-8(5-3-7)17(15,16)14-10-9(11)6-12-13-10/h2-6H,1H3,(H2,12,13,14).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 316.18 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3852469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).