N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide

C11H11BrClN3O2S — CID 114150447

IUPACN-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C11H11BrClN3O2S/c1-16-11(10(13)7-14-16)19(17,18)15-6-8-3-2-4-9(12)5-8/h2-5,7,15H,6H2,1H3
InChIKeyXUXWXTFASJBEJW-UHFFFAOYSA-N
MW364.65 g/mol
LogP2.31
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide

N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 114150447) has the molecular formula C11H11BrClN3O2S and a molecular weight of 364.65 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID114150447
Molecular FormulaC11H11BrClN3O2S
Molecular Weight364.65 g/mol
Exact Mass362.94
IUPAC NameN-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C11H11BrClN3O2S/c1-16-11(10(13)7-14-16)19(17,18)15-6-8-3-2-4-9(12)5-8/h2-5,7,15H,6H2,1H3
InChIKeyXUXWXTFASJBEJW-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150671
4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide
CID 106315502
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106315234
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106150581
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
3-amino-N-[(3-bromophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885294
N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150340
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide (CID 114150447) is N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is XUXWXTFASJBEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2S/c1-16-11(10(13)7-14-16)19(17,18)15-6-8-3-2-4-9(12)5-8/h2-5,7,15H,6H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide?
N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 364.65 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).