4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C19H27N3O2S — CID 52753328

IUPAC4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H27N3O2S/c1-3-22(15-16-13-20-21(2)14-16)25(23,24)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-14,17H,3-8,15H2,1-2H3
InChIKeyMHYNNAHIVMFQTR-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.68
Rot. Bonds6

About 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 52753328) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID52753328
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H27N3O2S/c1-3-22(15-16-13-20-21(2)14-16)25(23,24)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-14,17H,3-8,15H2,1-2H3
InChIKeyMHYNNAHIVMFQTR-UHFFFAOYSA-N
XLogP3.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 47812984
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735216
N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52783463
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19576918
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581
4-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 44822169
N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride
CID 119982347
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 52753328) is 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is MHYNNAHIVMFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-22(15-16-13-20-21(2)14-16)25(23,24)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-14,17H,3-8,15H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 52753328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).