4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide

C20H24N4O3S — CID 121177004

IUPAC4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NC(Cn2nccn2)C(C)C)cc1
InChIInChI=1S/C20H24N4O3S/c1-15(2)19(14-24-21-12-13-22-24)23-28(25,26)18-10-8-17(9-11-18)27-20-7-5-4-6-16(20)3/h4-13,15,19,23H,14H2,1-3H3
InChIKeyOCWGYQVZNVAKCW-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.38
Rot. Bonds8

About 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide

4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 121177004) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID121177004
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NC(Cn2nccn2)C(C)C)cc1
InChIInChI=1S/C20H24N4O3S/c1-15(2)19(14-24-21-12-13-22-24)23-28(25,26)18-10-8-17(9-11-18)27-20-7-5-4-6-16(20)3/h4-13,15,19,23H,14H2,1-3H3
InChIKeyOCWGYQVZNVAKCW-UHFFFAOYSA-N
XLogP3.38
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
CID 121176996
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177007
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 121177040
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
(2R)-3-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]butanoic acid
CID 93216961
2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
CID 4124714
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 44669136
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (CID 121177004) is 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is Cc1ccccc1Oc1ccc(S(=O)(=O)NC(Cn2nccn2)C(C)C)cc1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is OCWGYQVZNVAKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-15(2)19(14-24-21-12-13-22-24)23-28(25,26)18-10-8-17(9-11-18)27-20-7-5-4-6-16(20)3/h4-13,15,19,23H,14H2,1-3H3.
What are the key properties of 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121177004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).