4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H21N5O3S — CID 119974217

IUPAC4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCn1ncnc1COc1ccc(S(=O)(=O)NCC2CCCN2)cc1
InChIInChI=1S/C15H21N5O3S/c1-20-15(17-11-18-20)10-23-13-4-6-14(7-5-13)24(21,22)19-9-12-3-2-8-16-12/h4-7,11-12,16,19H,2-3,8-10H2,1H3
InChIKeyJEAFPPKGEIIQDF-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.42
Rot. Bonds7

About 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 119974217) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID119974217
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCn1ncnc1COc1ccc(S(=O)(=O)NCC2CCCN2)cc1
InChIInChI=1S/C15H21N5O3S/c1-20-15(17-11-18-20)10-23-13-4-6-14(7-5-13)24(21,22)19-9-12-3-2-8-16-12/h4-7,11-12,16,19H,2-3,8-10H2,1H3
InChIKeyJEAFPPKGEIIQDF-UHFFFAOYSA-N
XLogP0.42
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974216
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119967851
N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 120825445
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 126772926
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
CID 120724129
N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978808
9-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719502
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
CID 104710228
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420
N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119993089
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 119974217) is 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is Cn1ncnc1COc1ccc(S(=O)(=O)NCC2CCCN2)cc1.
What is the InChIKey of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JEAFPPKGEIIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-20-15(17-11-18-20)10-23-13-4-6-14(7-5-13)24(21,22)19-9-12-3-2-8-16-12/h4-7,11-12,16,19H,2-3,8-10H2,1H3.
What are the key properties of 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 119974217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).