5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide

C11H9ClN4O3S — CID 25039217

IUPAC5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C11H9ClN4O3S/c1-19-9-3-2-8(12)4-10(9)20(17,18)16-11-7(5-13)6-14-15-11/h2-4,6H,1H3,(H2,14,15,16)
InChIKeyBXGQLBDNNSZHQT-UHFFFAOYSA-N
MW312.74 g/mol
LogP1.74
Rot. Bonds4

About 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide

5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 25039217) has the molecular formula C11H9ClN4O3S and a molecular weight of 312.74 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID25039217
Molecular FormulaC11H9ClN4O3S
Molecular Weight312.74 g/mol
Exact Mass312.01
IUPAC Name5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C11H9ClN4O3S/c1-19-9-3-2-8(12)4-10(9)20(17,18)16-11-7(5-13)6-14-15-11/h2-4,6H,1H3,(H2,14,15,16)
InChIKeyBXGQLBDNNSZHQT-UHFFFAOYSA-N
XLogP1.74
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343
2,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 81327392
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide (CID 25039217) is 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is BXGQLBDNNSZHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3S/c1-19-9-3-2-8(12)4-10(9)20(17,18)16-11-7(5-13)6-14-15-11/h2-4,6H,1H3,(H2,14,15,16).
What are the key properties of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide?
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 312.74 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 25039217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).