N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide

C17H20N4O2S — CID 121176996

IUPACN-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4O2S/c1-13(2)17(12-21-18-9-10-19-21)20-24(22,23)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13,17,20H,12H2,1-2H3
InChIKeyGEELZPXNAWOJOU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.43
Rot. Bonds6

About N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide

N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide (PubChem CID 121176996) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
PubChem CID121176996
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4O2S/c1-13(2)17(12-21-18-9-10-19-21)20-24(22,23)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13,17,20H,12H2,1-2H3
InChIKeyGEELZPXNAWOJOU-UHFFFAOYSA-N
XLogP2.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177007
4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177004
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 121177040
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide
CID 8814679
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide (CID 121176996) is N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide is CC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is GEELZPXNAWOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13(2)17(12-21-18-9-10-19-21)20-24(22,23)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13,17,20H,12H2,1-2H3.
What are the key properties of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide?
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 121176996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).