N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C19H23N5O2S — CID 113017714

IUPACN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCc1cccc(C)c1Nc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C19H23N5O2S/c1-5-15-8-6-7-12(2)18(15)21-17-10-9-16(11-20-17)24-27(25,26)19-13(3)22-23-14(19)4/h6-11,24H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyADRLJMMIJDEUMQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.84
Rot. Bonds6

About N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113017714) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113017714
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCc1cccc(C)c1Nc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C19H23N5O2S/c1-5-15-8-6-7-12(2)18(15)21-17-10-9-16(11-20-17)24-27(25,26)19-13(3)22-23-14(19)4/h6-11,24H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyADRLJMMIJDEUMQ-UHFFFAOYSA-N
XLogP3.84
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113021784
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
3,5-dimethyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113017795
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113021926
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113017714) is N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCc1cccc(C)c1Nc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cn1.
What is the InChIKey of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ADRLJMMIJDEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-5-15-8-6-7-12(2)18(15)21-17-10-9-16(11-20-17)24-27(25,26)19-13(3)22-23-14(19)4/h6-11,24H,5H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113017714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).