1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide

C15H17N5O2S — CID 56793271

IUPAC1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cn1
InChIInChI=1S/C15H17N5O2S/c1-20-11-13(10-17-20)23(21,22)18-9-8-16-15-7-6-12-4-2-3-5-14(12)19-15/h2-7,10-11,18H,8-9H2,1H3,(H,16,19)
InChIKeyDGZDUWGUNHWTCJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.36
Rot. Bonds6

About 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide

1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 56793271) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID56793271
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cn1
InChIInChI=1S/C15H17N5O2S/c1-20-11-13(10-17-20)23(21,22)18-9-8-16-15-7-6-12-4-2-3-5-14(12)19-15/h2-7,10-11,18H,8-9H2,1H3,(H,16,19)
InChIKeyDGZDUWGUNHWTCJ-UHFFFAOYSA-N
XLogP1.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71866461
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
1-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyrazole-4-sulfonamide
CID 131949227
4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
CID 86974941
N-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 127377679
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 119042108
4-bromo-2-methyl-5-[2-(quinolin-2-ylamino)ethylamino]pyridazin-3-one
CID 133303797
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide (CID 56793271) is 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cn1.
What is the InChIKey of 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is DGZDUWGUNHWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-20-11-13(10-17-20)23(21,22)18-9-8-16-15-7-6-12-4-2-3-5-14(12)19-15/h2-7,10-11,18H,8-9H2,1H3,(H,16,19).
What are the key properties of 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56793271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).