4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

C14H19ClN4O2S — CID 118729162

IUPAC4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1nnc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC
InChIInChI=1S/C14H19ClN4O2S/c1-4-13-16-17-14(19(13)5-2)10(3)18-22(20,21)12-8-6-11(15)7-9-12/h6-10,18H,4-5H2,1-3H3
InChIKeyDCEHBSNHFUVPFD-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.55
Rot. Bonds6

About 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 118729162) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
PubChem CID118729162
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1nnc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC
InChIInChI=1S/C14H19ClN4O2S/c1-4-13-16-17-14(19(13)5-2)10(3)18-22(20,21)12-8-6-11(15)7-9-12/h6-10,18H,4-5H2,1-3H3
InChIKeyDCEHBSNHFUVPFD-UHFFFAOYSA-N
XLogP2.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (CID 118729162) is 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is CCc1nnc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC.
What is the InChIKey of 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is DCEHBSNHFUVPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c1-4-13-16-17-14(19(13)5-2)10(3)18-22(20,21)12-8-6-11(15)7-9-12/h6-10,18H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 342.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 118729162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).