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

C17H18ClN5O2S — CID 113033492

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

N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113033492) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
• PubChem CID: 113033492
• Molecular Formula: C17H18ClN5O2S
• Molecular Weight: 391.88 g/mol
• Exact Mass: 391.09
• IUPAC Name: N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2C)cn1
• InChI: InChI=1S/C17H18ClN5O2S/c1-10-14(18)5-4-6-15(10)20-13-7-8-16(19-9-13)23-26(24,25)17-11(2)21-22-12(17)3/h4-9,20H,1-3H3,(H,19,23)(H,21,22)
• InChIKey: LZXGIUXWRAKCMB-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.88
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The IUPAC name of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113033492) is N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The canonical SMILES for N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2C)cn1.

What is the InChIKey of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The InChIKey is LZXGIUXWRAKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-10-14(18)5-4-6-15(10)20-13-7-8-16(19-9-13)23-26(24,25)17-11(2)21-22-12(17)3/h4-9,20H,1-3H3,(H,19,23)(H,21,22).

What are the key properties of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

N-[5-(3-chloro-2-methylanilino)-2-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-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113033492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).