4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide

C17H22N4O3S — CID 59216834

IUPAC4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide
SMILESCc1cnc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H22N4O3S/c1-11-9-14(15(19-10-11)16(22)20-18)21-25(23,24)13-7-5-12(6-8-13)17(2,3)4/h5-10,21H,18H2,1-4H3,(H,20,22)
InChIKeyGNARFYHHHUDZER-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.09
Rot. Bonds4

About 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide (PubChem CID 59216834) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide
PubChem CID59216834
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide
SMILESCc1cnc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H22N4O3S/c1-11-9-14(15(19-10-11)16(22)20-18)21-25(23,24)13-7-5-12(6-8-13)17(2,3)4/h5-10,21H,18H2,1-4H3,(H,20,22)
InChIKeyGNARFYHHHUDZER-UHFFFAOYSA-N
XLogP2.09
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
CID 88909110
CID 88909110
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
CID 2856958
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide (CID 59216834) is 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide is Cc1cnc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide?
The InChIKey is GNARFYHHHUDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-9-14(15(19-10-11)16(22)20-18)21-25(23,24)13-7-5-12(6-8-13)17(2,3)4/h5-10,21H,18H2,1-4H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59216834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).