N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide

C14H19N5O2S2 — CID 2948310

IUPACN-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESNn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19N5O2S2/c15-19-10-16-17-14(19)22-13-9-5-4-8-12(13)18-23(20,21)11-6-2-1-3-7-11/h1-3,6-7,10,12-13,18H,4-5,8-9,15H2
InChIKeyBDKOGRQYRYKVOL-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.37
Rot. Bonds5

About N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide

N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide (PubChem CID 2948310) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
PubChem CID2948310
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC NameN-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESNn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19N5O2S2/c15-19-10-16-17-14(19)22-13-9-5-4-8-12(13)18-23(20,21)11-6-2-1-3-7-11/h1-3,6-7,10,12-13,18H,4-5,8-9,15H2
InChIKeyBDKOGRQYRYKVOL-UHFFFAOYSA-N
XLogP1.37
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide (CID 2948310) is N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide is Nn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The InChIKey is BDKOGRQYRYKVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c15-19-10-16-17-14(19)22-13-9-5-4-8-12(13)18-23(20,21)11-6-2-1-3-7-11/h1-3,6-7,10,12-13,18H,4-5,8-9,15H2.
What are the key properties of N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2948310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).