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

C16H25N5O3S — CID 119993089

IUPACN-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C16H25N5O3S/c1-3-4-5-13(10-17)20-25(22,23)15-8-6-14(7-9-15)24-11-16-18-12-19-21(16)2/h6-9,12-13,20H,3-5,10-11,17H2,1-2H3
InChIKeyBWTCMZPGANHUGF-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.19
Rot. Bonds10

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

N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 119993089) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
PubChem CID119993089
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC NameN-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C16H25N5O3S/c1-3-4-5-13(10-17)20-25(22,23)15-8-6-14(7-9-15)24-11-16-18-12-19-21(16)2/h6-9,12-13,20H,3-5,10-11,17H2,1-2H3
InChIKeyBWTCMZPGANHUGF-UHFFFAOYSA-N
XLogP1.19
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide with MolForge

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Related Compounds

N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 120825445
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119967851
N-[2-(6-methyl-3-pyridinyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 126772926
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
CID 80696978

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide (CID 119993089) is N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is BWTCMZPGANHUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-3-4-5-13(10-17)20-25(22,23)15-8-6-14(7-9-15)24-11-16-18-12-19-21(16)2/h6-9,12-13,20H,3-5,10-11,17H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide?
N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 367.48 g/mol, XLogP of 1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 119993089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).