3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide

C17H12ClN5O3S — CID 7996280

IUPAC3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide
SMILESN#Cc1cnn(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1N
InChIInChI=1S/C17H12ClN5O3S/c18-13-4-6-14(7-5-13)22-27(25,26)15-3-1-2-11(8-15)17(24)23-16(20)12(9-19)10-21-23/h1-8,10,22H,20H2
InChIKeyDTKMHFSRRMDKNB-UHFFFAOYSA-N
MW401.84 g/mol
LogP2.48
Rot. Bonds4

About 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide

3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 7996280) has the molecular formula C17H12ClN5O3S and a molecular weight of 401.84 g/mol. Its IUPAC name is 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID7996280
Molecular FormulaC17H12ClN5O3S
Molecular Weight401.84 g/mol
Exact Mass401.03
IUPAC Name3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide
SMILESN#Cc1cnn(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1N
InChIInChI=1S/C17H12ClN5O3S/c18-13-4-6-14(7-5-13)22-27(25,26)15-3-1-2-11(8-15)17(24)23-16(20)12(9-19)10-21-23/h1-8,10,22H,20H2
InChIKeyDTKMHFSRRMDKNB-UHFFFAOYSA-N
XLogP2.48
TPSA130.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide (CID 7996280) is 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide is N#Cc1cnn(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1N.
What is the InChIKey of 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is DTKMHFSRRMDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O3S/c18-13-4-6-14(7-5-13)22-27(25,26)15-3-1-2-11(8-15)17(24)23-16(20)12(9-19)10-21-23/h1-8,10,22H,20H2.
What are the key properties of 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide?
3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 401.84 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 7996280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).