N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide

C14H17Cl2N3O2S — CID 25047609

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2S/c1-14(2,3)12-8-13(19(4)17-12)18-22(20,21)11-6-9(15)5-10(16)7-11/h5-8,18H,1-4H3
InChIKeyBKGXAURSAYQHHE-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.83
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide (PubChem CID 25047609) has the molecular formula C14H17Cl2N3O2S and a molecular weight of 362.28 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide
PubChem CID25047609
Molecular FormulaC14H17Cl2N3O2S
Molecular Weight362.28 g/mol
Exact Mass361.04
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2S/c1-14(2,3)12-8-13(19(4)17-12)18-22(20,21)11-6-9(15)5-10(16)7-11/h5-8,18H,1-4H3
InChIKeyBKGXAURSAYQHHE-UHFFFAOYSA-N
XLogP3.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide
CID 3601933
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide
CID 25048684
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888795
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3775374
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
CID 60594734
1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934852
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 22110535

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide (CID 25047609) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide is Cn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is BKGXAURSAYQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2S/c1-14(2,3)12-8-13(19(4)17-12)18-22(20,21)11-6-9(15)5-10(16)7-11/h5-8,18H,1-4H3.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 362.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 25047609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).