N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide

C11H10ClN5O2S — CID 80703861

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1N
InChIInChI=1S/C11H10ClN5O2S/c1-6-10(14)11(16-15-6)17-20(18,19)9-4-7(5-13)2-3-8(9)12/h2-4H,14H2,1H3,(H2,15,16,17)
InChIKeySVZRWKLMQUFAHP-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.63
Rot. Bonds3

About N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide (PubChem CID 80703861) has the molecular formula C11H10ClN5O2S and a molecular weight of 311.75 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide
PubChem CID80703861
Molecular FormulaC11H10ClN5O2S
Molecular Weight311.75 g/mol
Exact Mass311.02
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1N
InChIInChI=1S/C11H10ClN5O2S/c1-6-10(14)11(16-15-6)17-20(18,19)9-4-7(5-13)2-3-8(9)12/h2-4H,14H2,1H3,(H2,15,16,17)
InChIKeySVZRWKLMQUFAHP-UHFFFAOYSA-N
XLogP1.63
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-chloro-5-cyanobenzenesulfonamide
CID 80696657
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide (CID 80703861) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide is Cc1[nH]nc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is SVZRWKLMQUFAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S/c1-6-10(14)11(16-15-6)17-20(18,19)9-4-7(5-13)2-3-8(9)12/h2-4H,14H2,1H3,(H2,15,16,17).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide has a molecular weight of 311.75 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80703861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).