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

C13H17ClN4O2S — CID 129416500

IUPAC2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4O2S/c1-10(2)12(9-18-15-7-8-16-18)17-21(19,20)13-6-4-3-5-11(13)14/h3-8,10,12,17H,9H2,1-2H3/t12-/m1/s1
InChIKeyDLVMVRFTSQFORJ-GFCCVEGCSA-N
MW328.82 g/mol
LogP1.93
Rot. Bonds6

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

2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 129416500) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID129416500
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.82 g/mol
Exact Mass328.08
IUPAC Name2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4O2S/c1-10(2)12(9-18-15-7-8-16-18)17-21(19,20)13-6-4-3-5-11(13)14/h3-8,10,12,17H,9H2,1-2H3/t12-/m1/s1
InChIKeyDLVMVRFTSQFORJ-GFCCVEGCSA-N
XLogP1.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.93
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
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177007
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437
2-[(2-chlorophenyl)sulfonylamino]propanethioamide
CID 61124636
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-chloro-4-methylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106356413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (CID 129416500) is 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is DLVMVRFTSQFORJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-10(2)12(9-18-15-7-8-16-18)17-21(19,20)13-6-4-3-5-11(13)14/h3-8,10,12,17H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 129416500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).