3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H13ClN4O2S — CID 114379018

IUPAC3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H13ClN4O2S/c1-7-9(13)5-8(12)6-10(7)19(17,18)15-11-3-4-16(2)14-11/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyLKZCEYZWLAETER-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 114379018) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID114379018
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H13ClN4O2S/c1-7-9(13)5-8(12)6-10(7)19(17,18)15-11-3-4-16(2)14-11/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyLKZCEYZWLAETER-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

3-amino-5-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378522
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 114379246
3-amino-5-chloro-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 114380301
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 115421296
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60808972
3-amino-N-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 114379018) is 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is LKZCEYZWLAETER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-9(13)5-8(12)6-10(7)19(17,18)15-11-3-4-16(2)14-11/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-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 3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 114379018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).