N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide

C19H16N4O4S2 — CID 15122288

IUPACN-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)n2nnc3c(NS(=O)(=O)c4ccccc4)cccc32)cc1
InChIInChI=1S/C19H16N4O4S2/c1-14-10-12-16(13-11-14)29(26,27)23-18-9-5-8-17(19(18)20-22-23)21-28(24,25)15-6-3-2-4-7-15/h2-13,21H,1H3
InChIKeyGLOFBNGXEIYOJU-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide

N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide (PubChem CID 15122288) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide
PubChem CID15122288
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC NameN-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)n2nnc3c(NS(=O)(=O)c4ccccc4)cccc32)cc1
InChIInChI=1S/C19H16N4O4S2/c1-14-10-12-16(13-11-14)29(26,27)23-18-9-5-8-17(19(18)20-22-23)21-28(24,25)15-6-3-2-4-7-15/h2-13,21H,1H3
InChIKeyGLOFBNGXEIYOJU-UHFFFAOYSA-N
XLogP2.78
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772
4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
CID 169371778
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
CID 169372936
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide (CID 15122288) is N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)n2nnc3c(NS(=O)(=O)c4ccccc4)cccc32)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide?
The InChIKey is GLOFBNGXEIYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-14-10-12-16(13-11-14)29(26,27)23-18-9-5-8-17(19(18)20-22-23)21-28(24,25)15-6-3-2-4-7-15/h2-13,21H,1H3.
What are the key properties of N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide?
N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide has a molecular weight of 428.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 15122288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).