4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide

C17H21ClN2O2S — CID 173104693

IUPAC4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-5-15-16(10-13(18)11-19-15)20-23(21,22)14-8-6-12(7-9-14)17(2,3)4/h6-11,20H,5H2,1-4H3
InChIKeyPFUIHTRBSPKNKU-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.40
Rot. Bonds4

About 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide

4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide (PubChem CID 173104693) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
PubChem CID173104693
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-5-15-16(10-13(18)11-19-15)20-23(21,22)14-8-6-12(7-9-14)17(2,3)4/h6-11,20H,5H2,1-4H3
InChIKeyPFUIHTRBSPKNKU-UHFFFAOYSA-N
XLogP4.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88909110
CID 88909110
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 24804598
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 25134464
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-1-yl-3-pyridinyl)benzenesulfonamide
CID 25134463
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24804444
N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 25134465
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-piperidin-4-yl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 143610137

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide (CID 173104693) is 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide is CCc1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is PFUIHTRBSPKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-5-15-16(10-13(18)11-19-15)20-23(21,22)14-8-6-12(7-9-14)17(2,3)4/h6-11,20H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide?
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 173104693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).