N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C10H10BrClN4O2S — CID 106313893

IUPACN-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C10H10BrClN4O2S/c1-16-10(8(12)5-14-16)19(17,18)15-6-2-3-9(13)7(11)4-6/h2-5,15H,13H2,1H3
InChIKeyLEDJSQCCNBLMEJ-UHFFFAOYSA-N
MW365.64 g/mol
LogP2.22
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106313893) has the molecular formula C10H10BrClN4O2S and a molecular weight of 365.64 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106313893
Molecular FormulaC10H10BrClN4O2S
Molecular Weight365.64 g/mol
Exact Mass363.94
IUPAC NameN-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C10H10BrClN4O2S/c1-16-10(8(12)5-14-16)19(17,18)15-6-2-3-9(13)7(11)4-6/h2-5,15H,13H2,1H3
InChIKeyLEDJSQCCNBLMEJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106313893) is N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is LEDJSQCCNBLMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O2S/c1-16-10(8(12)5-14-16)19(17,18)15-6-2-3-9(13)7(11)4-6/h2-5,15H,13H2,1H3.
What are the key properties of N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(4-amino-3-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-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106313893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).