3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

C15H12Cl2N4O2S — CID 71452487

IUPAC3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N4O2S/c16-12-2-1-3-14(8-12)24(22,23)19-15-9-13(17)5-4-11(15)10-21-7-6-18-20-21/h1-9,19H,10H2
InChIKeyDVBHCMNIFLHUIM-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.43
Rot. Bonds5

About 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 71452487) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID71452487
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N4O2S/c16-12-2-1-3-14(8-12)24(22,23)19-15-9-13(17)5-4-11(15)10-21-7-6-18-20-21/h1-9,19H,10H2
InChIKeyDVBHCMNIFLHUIM-UHFFFAOYSA-N
XLogP3.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
CID 71454247
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
1-[(3-chlorophenyl)methyl]triazole
CID 12811466
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium
CID 143399978
N-[2-[(3-aminophenyl)methylsulfinyl]-5-chlorophenyl]-3-chlorobenzenesulfonamide
CID 67971801

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 71452487) is 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is DVBHCMNIFLHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c16-12-2-1-3-14(8-12)24(22,23)19-15-9-13(17)5-4-11(15)10-21-7-6-18-20-21/h1-9,19H,10H2.
What are the key properties of 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71452487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).