2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

C15H12Cl2N4O2S2 — CID 24588492

IUPAC2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2N4O2S2/c1-21-9-18-19-15(21)24-12-7-3-2-6-11(12)20-25(22,23)13-8-4-5-10(16)14(13)17/h2-9,20H,1H3
InChIKeyCSLMRVMGWHZVAC-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.07
Rot. Bonds5

About 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (PubChem CID 24588492) has the molecular formula C15H12Cl2N4O2S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
PubChem CID24588492
Molecular FormulaC15H12Cl2N4O2S2
Molecular Weight415.33 g/mol
Exact Mass413.98
IUPAC Name2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2N4O2S2/c1-21-9-18-19-15(21)24-12-7-3-2-6-11(12)20-25(22,23)13-8-4-5-10(16)14(13)17/h2-9,20H,1H3
InChIKeyCSLMRVMGWHZVAC-UHFFFAOYSA-N
XLogP4.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 18133365
4-tert-butyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 17466064
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 17466595
4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 17444200
3,4-dimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 17444518
dimethyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24588497
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propylbenzenesulfonamide
CID 17477746
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662824
[2-chloro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 62496319
2-chloro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 62497072
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitroaniline
CID 80882468
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 138109724

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (CID 24588492) is 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The InChIKey is CSLMRVMGWHZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S2/c1-21-9-18-19-15(21)24-12-7-3-2-6-11(12)20-25(22,23)13-8-4-5-10(16)14(13)17/h2-9,20H,1H3.
What are the key properties of 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide has a molecular weight of 415.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24588492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).