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

C17H18ClN5O2S — CID 113018956

IUPACN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1Cl
InChIInChI=1S/C17H18ClN5O2S/c1-10-4-5-13(8-15(10)18)20-16-7-6-14(9-19-16)23-26(24,25)17-11(2)21-22-12(17)3/h4-9,23H,1-3H3,(H,19,20)(H,21,22)
InChIKeyBPSRYLOHVYAVDT-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.93
Rot. Bonds5

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

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113018956) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113018956
Molecular FormulaC17H18ClN5O2S
Molecular Weight391.88 g/mol
Exact Mass391.09
IUPAC NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1Cl
InChIInChI=1S/C17H18ClN5O2S/c1-10-4-5-13(8-15(10)18)20-16-7-6-14(9-19-16)23-26(24,25)17-11(2)21-22-12(17)3/h4-9,23H,1-3H3,(H,19,20)(H,21,22)
InChIKeyBPSRYLOHVYAVDT-UHFFFAOYSA-N
XLogP3.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113021926
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
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-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113018956) is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BPSRYLOHVYAVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-10-4-5-13(8-15(10)18)20-16-7-6-14(9-19-16)23-26(24,25)17-11(2)21-22-12(17)3/h4-9,23H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113018956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).