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

C14H21N5O3S — CID 120825445

IUPACN-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C14H21N5O3S/c1-11(15-2)8-18-23(20,21)13-6-4-12(5-7-13)22-9-14-16-10-17-19(14)3/h4-7,10-11,15,18H,8-9H2,1-3H3
InChIKeyWNAYIGCECBXDFO-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.28
Rot. Bonds8

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

N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 120825445) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
PubChem CID120825445
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C14H21N5O3S/c1-11(15-2)8-18-23(20,21)13-6-4-12(5-7-13)22-9-14-16-10-17-19(14)3/h4-7,10-11,15,18H,8-9H2,1-3H3
InChIKeyWNAYIGCECBXDFO-UHFFFAOYSA-N
XLogP0.28
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 126772926
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974217
N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119993089
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974216
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
CID 120724129
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119967851
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013804
(4-phenoxyphenyl) 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonate
CID 71912327
(1S)-1-[(2S)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 124691051
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide (CID 120825445) is N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is WNAYIGCECBXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-11(15-2)8-18-23(20,21)13-6-4-12(5-7-13)22-9-14-16-10-17-19(14)3/h4-7,10-11,15,18H,8-9H2,1-3H3.
What are the key properties of N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 120825445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).