N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C10H10BrClN4O2S — CID 106313884

IUPACN-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cc(N)ccc1Br
InChIInChI=1S/C10H10BrClN4O2S/c1-16-10(8(12)5-14-16)19(17,18)15-9-4-6(13)2-3-7(9)11/h2-5,15H,13H2,1H3
InChIKeyMXWXUYJQPJJZPG-UHFFFAOYSA-N
MW365.64 g/mol
LogP2.22
Rot. Bonds3

About N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106313884) has the molecular formula C10H10BrClN4O2S and a molecular weight of 365.64 g/mol. Its IUPAC name is N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106313884
Molecular FormulaC10H10BrClN4O2S
Molecular Weight365.64 g/mol
Exact Mass363.94
IUPAC NameN-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cc(N)ccc1Br
InChIInChI=1S/C10H10BrClN4O2S/c1-16-10(8(12)5-14-16)19(17,18)15-9-4-6(13)2-3-7(9)11/h2-5,15H,13H2,1H3
InChIKeyMXWXUYJQPJJZPG-UHFFFAOYSA-N
XLogP2.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
4-bromo-3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]benzoic acid
CID 106139112
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106314697
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360
N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150340
N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313880
4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
CID 106314873
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 106314594
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106313884) is N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(N)ccc1Br.
What is the InChIKey of N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is MXWXUYJQPJJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O2S/c1-16-10(8(12)5-14-16)19(17,18)15-9-4-6(13)2-3-7(9)11/h2-5,15H,13H2,1H3.
What are the key properties of N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 365.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106313884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).