N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C14H18N4O2S — CID 63303324

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N4O2S/c1-18-12(6-8-16-18)10-17-21(19,20)13-4-5-14-11(9-13)3-2-7-15-14/h4-6,8-9,15,17H,2-3,7,10H2,1H3
InChIKeyIAJYSMIPBBNTQT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.26
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 63303324) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID63303324
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N4O2S/c1-18-12(6-8-16-18)10-17-21(19,20)13-4-5-14-11(9-13)3-2-7-15-14/h4-6,8-9,15,17H,2-3,7,10H2,1H3
InChIKeyIAJYSMIPBBNTQT-UHFFFAOYSA-N
XLogP1.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 103023537
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
N-(2-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940814

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 63303324) is N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide is Cn1nccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is IAJYSMIPBBNTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-12(6-8-16-18)10-17-21(19,20)13-4-5-14-11(9-13)3-2-7-15-14/h4-6,8-9,15,17H,2-3,7,10H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 63303324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).