3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H13ClN4O2S — CID 82881548

IUPAC3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H13ClN4O2S/c1-16-5-4-8(15-16)7-14-19(17,18)9-2-3-10(12)11(13)6-9/h2-6,14H,7,13H2,1H3
InChIKeyRNAZXIDUPJNJRP-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82881548) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82881548
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H13ClN4O2S/c1-16-5-4-8(15-16)7-14-19(17,18)9-2-3-10(12)11(13)6-9/h2-6,14H,7,13H2,1H3
InChIKeyRNAZXIDUPJNJRP-UHFFFAOYSA-N
XLogP1.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.13
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-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
3-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989030
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 82873052
3-bromo-4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872635
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207734
4-chloro-3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872668
2-chloro-4-[(1-methylpyrazol-3-yl)methylsulfonyl]aniline
CID 82881981
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82881548) is 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is RNAZXIDUPJNJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-16-5-4-8(15-16)7-14-19(17,18)9-2-3-10(12)11(13)6-9/h2-6,14H,7,13H2,1H3.
What are the key properties of 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82881548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).