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

C23H30ClN5O3S — CID 24804444

IUPAC4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
SMILESCC(C)n1c(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnc1C(C)(C)O
InChIInChI=1S/C23H30ClN5O3S/c1-14(2)29-20(26-27-21(29)23(6,7)30)19-18(12-16(24)13-25-19)28-33(31,32)17-10-8-15(9-11-17)22(3,4)5/h8-14,28,30H,1-7H3
InChIKeyIGLLECSQBYFOED-UHFFFAOYSA-N
MW492.05 g/mol
LogP4.90
Rot. Bonds6

About 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

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 (PubChem CID 24804444) has the molecular formula C23H30ClN5O3S and a molecular weight of 492.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID24804444
Molecular FormulaC23H30ClN5O3S
Molecular Weight492.05 g/mol
Exact Mass491.18
IUPAC Name4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
SMILESCC(C)n1c(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnc1C(C)(C)O
InChIInChI=1S/C23H30ClN5O3S/c1-14(2)29-20(26-27-21(29)23(6,7)30)19-18(12-16(24)13-25-19)28-33(31,32)17-10-8-15(9-11-17)22(3,4)5/h8-14,28,30H,1-7H3
InChIKeyIGLLECSQBYFOED-UHFFFAOYSA-N
XLogP4.90
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.05
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

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-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 59302990
CID 88909110
CID 88909110
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
4-tert-butyl-N-[6-chloro-2-[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 86618354
4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide
CID 87190669
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
4-tert-butyl-N-[4-chloro-2-(4,5-dimethyltriazol-1-yl)phenyl]benzenesulfonamide
CID 143780453
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
CID 59428132
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-chloro-N-[5-chloro-2-[5-[(dimethylamino)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;dimethyl(methylidene)azanium
CID 159443290
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1c(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnc1C(C)(C)O.
What is the InChIKey of 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?
The InChIKey is IGLLECSQBYFOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O3S/c1-14(2)29-20(26-27-21(29)23(6,7)30)19-18(12-16(24)13-25-19)28-33(31,32)17-10-8-15(9-11-17)22(3,4)5/h8-14,28,30H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 492.05 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24804444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).