2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide

C11H13ClN4O2S — CID 54888795

IUPAC2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)n(C)n1
InChIInChI=1S/C11H13ClN4O2S/c1-7-5-11(16(2)14-7)15-19(17,18)10-6-8(12)3-4-9(10)13/h3-6,15H,13H2,1-2H3
InChIKeyRNDKLMSKBXOQMV-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide

2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide (PubChem CID 54888795) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
PubChem CID54888795
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)n(C)n1
InChIInChI=1S/C11H13ClN4O2S/c1-7-5-11(16(2)14-7)15-19(17,18)10-6-8(12)3-4-9(10)13/h3-6,15H,13H2,1-2H3
InChIKeyRNDKLMSKBXOQMV-UHFFFAOYSA-N
XLogP1.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.76
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

2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
3-amino-4-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 29030763
N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
CID 3730633
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
5-amino-2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 65202375
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 39854116
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 54921964
6-amino-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 62143351
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide (CID 54888795) is 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)n(C)n1.
What is the InChIKey of 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is RNDKLMSKBXOQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-5-11(16(2)14-7)15-19(17,18)10-6-8(12)3-4-9(10)13/h3-6,15H,13H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 54888795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).