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

C17H19N5O3S — CID 113019470

IUPACN-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)c1
InChIInChI=1S/C17H19N5O3S/c1-11-17(12(2)21-20-11)26(23,24)22-14-7-8-16(18-10-14)19-13-5-4-6-15(9-13)25-3/h4-10,22H,1-3H3,(H,18,19)(H,20,21)
InChIKeyLLXKTGJTMBJJMQ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.97
Rot. Bonds6

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

N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113019470) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113019470
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)c1
InChIInChI=1S/C17H19N5O3S/c1-11-17(12(2)21-20-11)26(23,24)22-14-7-8-16(18-10-14)19-13-5-4-6-15(9-13)25-3/h4-10,22H,1-3H3,(H,18,19)(H,20,21)
InChIKeyLLXKTGJTMBJJMQ-UHFFFAOYSA-N
XLogP2.97
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113021784
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
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
3,5-dimethyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113017795
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113033492
N-[5-(4-tert-butylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113032967
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113019470) is N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1cccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LLXKTGJTMBJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-17(12(2)21-20-11)26(23,24)22-14-7-8-16(18-10-14)19-13-5-4-6-15(9-13)25-3/h4-10,22H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113019470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).