benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide

C14H16N3O2S2- — CID 4741853

IUPACbenzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide
SMILESO=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C14H16N3O2S2/c18-21(19,12-9-5-2-6-10-12)17-14-16-15-13(20-14)11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2/q-1
InChIKeyBTZXEZKKOXXOGS-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.98
Rot. Bonds4

About benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide

benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide (PubChem CID 4741853) has the molecular formula C14H16N3O2S2- and a molecular weight of 322.43 g/mol. Its IUPAC name is benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide.

Molecular Properties

Compound Namebenzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide
PubChem CID4741853
Molecular FormulaC14H16N3O2S2-
Molecular Weight322.43 g/mol
Exact Mass322.07
IUPAC Namebenzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide
SMILESO=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C14H16N3O2S2/c18-21(19,12-9-5-2-6-10-12)17-14-16-15-13(20-14)11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2/q-1
InChIKeyBTZXEZKKOXXOGS-UHFFFAOYSA-N
XLogP3.98
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide?
The IUPAC name of benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide (CID 4741853) is benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide.
What is the SMILES notation for benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide?
The canonical SMILES for benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide is O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccccc1.
What is the InChIKey of benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide?
The InChIKey is BTZXEZKKOXXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N3O2S2/c18-21(19,12-9-5-2-6-10-12)17-14-16-15-13(20-14)11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2/q-1.
What are the key properties of benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide?
benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide has a molecular weight of 322.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)azanide is sourced from PubChem (CID 4741853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).