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

C10H10Cl2N4O2S — CID 106313783

IUPACN-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H10Cl2N4O2S/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
InChIKeyXDIFDNDPGCVYKB-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.11
Rot. Bonds3

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

N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106313783) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106313783
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC NameN-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H10Cl2N4O2S/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
InChIKeyXDIFDNDPGCVYKB-UHFFFAOYSA-N
XLogP2.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.11
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-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313884
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
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
4-bromo-3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]benzoic acid
CID 106139112
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106314240
4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
CID 106314666
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
CID 106139096

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106313783) is N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is XDIFDNDPGCVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/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-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 321.19 g/mol, XLogP of 2.11, 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-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106313783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).