N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide

C15H20ClN3O2S — CID 3601933

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C)cc1Cl
InChIInChI=1S/C15H20ClN3O2S/c1-10-6-7-11(8-12(10)16)22(20,21)18-14-9-13(15(2,3)4)17-19(14)5/h6-9,18H,1-5H3
InChIKeyNLNSRLYQJFZEKX-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.48
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide (PubChem CID 3601933) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide
PubChem CID3601933
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C)cc1Cl
InChIInChI=1S/C15H20ClN3O2S/c1-10-6-7-11(8-12(10)16)22(20,21)18-14-9-13(15(2,3)4)17-19(14)5/h6-9,18H,1-5H3
InChIKeyNLNSRLYQJFZEKX-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide
CID 25047609
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
3-amino-4-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 29030763
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide (CID 3601933) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C)cc1Cl.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide?
The InChIKey is NLNSRLYQJFZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-10-6-7-11(8-12(10)16)22(20,21)18-14-9-13(15(2,3)4)17-19(14)5/h6-9,18H,1-5H3.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 3.48, 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-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 3601933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).