5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide

C21H21ClN4O3S — CID 174952677

IUPAC5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)c1ncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc1C(N)=O
InChIInChI=1S/C21H21ClN4O3S/c1-21(2,3)18-16(20(23)27)9-13(11-24-18)14-10-17(19(22)25-12-14)26-30(28,29)15-7-5-4-6-8-15/h4-12,26H,1-3H3,(H2,23,27)
InChIKeyPYVMUFFOANMYGA-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.99
Rot. Bonds5

About 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide

5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide (PubChem CID 174952677) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
PubChem CID174952677
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC Name5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)c1ncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc1C(N)=O
InChIInChI=1S/C21H21ClN4O3S/c1-21(2,3)18-16(20(23)27)9-13(11-24-18)14-10-17(19(22)25-12-14)26-30(28,29)15-7-5-4-6-8-15/h4-12,26H,1-3H3,(H2,23,27)
InChIKeyPYVMUFFOANMYGA-UHFFFAOYSA-N
XLogP3.99
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]phenyl]-3-methylbutanamide
CID 175276585
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933
2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 87176825
[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid
CID 142785949
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
CID 25144376
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 86620385
5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
CID 2856958
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 87177165
tert-butyl N-[2-[[5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 121445780
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668

Frequently Asked Questions

What is the IUPAC name of 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide?
The IUPAC name of 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide (CID 174952677) is 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide.
What is the SMILES notation for 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide?
The canonical SMILES for 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide is CC(C)(C)c1ncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc1C(N)=O.
What is the InChIKey of 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide?
The InChIKey is PYVMUFFOANMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-21(2,3)18-16(20(23)27)9-13(11-24-18)14-10-17(19(22)25-12-14)26-30(28,29)15-7-5-4-6-8-15/h4-12,26H,1-3H3,(H2,23,27).
What are the key properties of 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide?
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide is sourced from PubChem (CID 174952677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).