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

C18H21N5O3S — CID 113019734

IUPACN-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1
InChIInChI=1S/C18H21N5O3S/c1-4-26-16-8-5-14(6-9-16)20-17-10-7-15(11-19-17)23-27(24,25)18-12(2)21-22-13(18)3/h5-11,23H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMNUCJUDVGFUFRO-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.36
Rot. Bonds7

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

N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113019734) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113019734
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1
InChIInChI=1S/C18H21N5O3S/c1-4-26-16-8-5-14(6-9-16)20-17-10-7-15(11-19-17)23-27(24,25)18-12(2)21-22-13(18)3/h5-11,23H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMNUCJUDVGFUFRO-UHFFFAOYSA-N
XLogP3.36
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
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-[5-(4-tert-butylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113032967
3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113021784
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
3,5-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113023941
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113019734) is N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCOc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1.
What is the InChIKey of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MNUCJUDVGFUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-4-26-16-8-5-14(6-9-16)20-17-10-7-15(11-19-17)23-27(24,25)18-12(2)21-22-13(18)3/h5-11,23H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 387.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113019734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).