N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide

C13H14BrN3O2S — CID 60959464

IUPACN-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C13H14BrN3O2S/c14-13-4-2-1-3-10(13)9-17(11-5-6-11)20(18,19)12-7-15-16-8-12/h1-4,7-8,11H,5-6,9H2,(H,15,16)
InChIKeyQRPSSFDZKKXUDZ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.53
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide

N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide (PubChem CID 60959464) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide
PubChem CID60959464
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C13H14BrN3O2S/c14-13-4-2-1-3-10(13)9-17(11-5-6-11)20(18,19)12-7-15-16-8-12/h1-4,7-8,11H,5-6,9H2,(H,15,16)
InChIKeyQRPSSFDZKKXUDZ-UHFFFAOYSA-N
XLogP2.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide (CID 60959464) is N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide is O=S(=O)(c1cn[nH]c1)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QRPSSFDZKKXUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c14-13-4-2-1-3-10(13)9-17(11-5-6-11)20(18,19)12-7-15-16-8-12/h1-4,7-8,11H,5-6,9H2,(H,15,16).
What are the key properties of N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide?
N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).