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

C16H21ClN4O2S — CID 59438811

IUPAC4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C)nnc1C(CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN4O2S/c1-3-21-11(2)18-19-16(21)15(10-12-4-5-12)20-24(22,23)14-8-6-13(17)7-9-14/h6-9,12,15,20H,3-5,10H2,1-2H3
InChIKeyKIFRDJSFQSEGDP-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.08
Rot. Bonds7

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

4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 59438811) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
PubChem CID59438811
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C)nnc1C(CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN4O2S/c1-3-21-11(2)18-19-16(21)15(10-12-4-5-12)20-24(22,23)14-8-6-13(17)7-9-14/h6-9,12,15,20H,3-5,10H2,1-2H3
InChIKeyKIFRDJSFQSEGDP-UHFFFAOYSA-N
XLogP3.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 57699087
4-chloro-N-[1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 59438827
4-chloro-N-[1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 118729154
4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 118729157
4-chloro-N-[1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 118729158
4-chloro-N-[1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 118729159
4-chloro-N-[1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 118729162
4-chloro-N-[(1R)-1-(4,5-diethyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 118729163
4-Chloro-N-[2-(3,5-dimethyl-[1,2,4]triazol-1-yl)-propyl]-benzenesulfonamide
CID 6499828
N-{1-[5-(allylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-chlorobenzenesulfonamide
CID 4318239
4-chloro-N-[1-(4-methyl-5-methyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 59438732
4-chloro-N-[1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 59438736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (CID 59438811) is 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is CCn1c(C)nnc1C(CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KIFRDJSFQSEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-3-21-11(2)18-19-16(21)15(10-12-4-5-12)20-24(22,23)14-8-6-13(17)7-9-14/h6-9,12,15,20H,3-5,10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-cyclopropyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59438811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).