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

C14H20N4O2S — CID 121176946

IUPAC3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(Cn2nccn2)C(C)C)c1
InChIInChI=1S/C14H20N4O2S/c1-11(2)14(10-18-15-7-8-16-18)17-21(19,20)13-6-4-5-12(3)9-13/h4-9,11,14,17H,10H2,1-3H3
InChIKeyBMQDODSXQAYLPK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.59
Rot. Bonds6

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

3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 121176946) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID121176946
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(Cn2nccn2)C(C)C)c1
InChIInChI=1S/C14H20N4O2S/c1-11(2)14(10-18-15-7-8-16-18)17-21(19,20)13-6-4-5-12(3)9-13/h4-9,11,14,17H,10H2,1-3H3
InChIKeyBMQDODSXQAYLPK-UHFFFAOYSA-N
XLogP1.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
CID 121176996
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
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
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 121177040
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
(2S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanoate
CID 2241578
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (CID 121176946) is 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NC(Cn2nccn2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is BMQDODSXQAYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(2)14(10-18-15-7-8-16-18)17-21(19,20)13-6-4-5-12(3)9-13/h4-9,11,14,17H,10H2,1-3H3.
What are the key properties of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121176946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).