4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide

C17H24ClN3O2S — CID 22207319

IUPAC4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1nn(CCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C17H24ClN3O2S/c1-13-16(18)12-21(20-13)11-5-10-19-24(22,23)15-8-6-14(7-9-15)17(2,3)4/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyQOZCRMMXABTFCS-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.51
Rot. Bonds6

About 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide

4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide (PubChem CID 22207319) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide
PubChem CID22207319
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1nn(CCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C17H24ClN3O2S/c1-13-16(18)12-21(20-13)11-5-10-19-24(22,23)15-8-6-14(7-9-15)17(2,3)4/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyQOZCRMMXABTFCS-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 19581232
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22207320
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22207325
4-tert-butyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)propyl]benzenesulfonamide
CID 127266249
4-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209366
N-[3-(4-chloro-3-nitropyrazol-1-yl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19614564
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[3-(3-methylpyrazol-1-yl)propyl]-4-nitrobenzenesulfonamide
CID 22207264
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide (CID 22207319) is 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide is Cc1nn(CCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl.
What is the InChIKey of 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is QOZCRMMXABTFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-13-16(18)12-21(20-13)11-5-10-19-24(22,23)15-8-6-14(7-9-15)17(2,3)4/h6-9,12,19H,5,10-11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide?
4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 369.92 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 22207319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).