2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide

C11H13ClN4O2S — CID 79466814

IUPAC2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)c(N)c2)c(C)c1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-6-11(12)7(2)16(15-6)8-3-4-10(9(13)5-8)19(14,17)18/h3-5H,13H2,1-2H3,(H2,14,17,18)
InChIKeyBMHSBDCGHIEECD-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide

2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide (PubChem CID 79466814) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
PubChem CID79466814
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)c(N)c2)c(C)c1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-6-11(12)7(2)16(15-6)8-3-4-10(9(13)5-8)19(14,17)18/h3-5H,13H2,1-2H3,(H2,14,17,18)
InChIKeyBMHSBDCGHIEECD-UHFFFAOYSA-N
XLogP1.37
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.37
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 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide (CID 79466814) is 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)c(N)c2)c(C)c1Cl.
What is the InChIKey of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is BMHSBDCGHIEECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-6-11(12)7(2)16(15-6)8-3-4-10(9(13)5-8)19(14,17)18/h3-5H,13H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide?
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 79466814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).