N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide

C18H13N3O3S — CID 134250635

IUPACN-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(C1=CN=CC=C=N1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H13N3O3S/c22-18(17-13-19-11-6-12-20-17)15-9-4-5-10-16(15)21-25(23,24)14-7-2-1-3-8-14/h1-11,13,21H
InChIKeyCPTGMEIJGIWWPY-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide

N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide (PubChem CID 134250635) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide
PubChem CID134250635
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(C1=CN=CC=C=N1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H13N3O3S/c22-18(17-13-19-11-6-12-20-17)15-9-4-5-10-16(15)21-25(23,24)14-7-2-1-3-8-14/h1-11,13,21H
InChIKeyCPTGMEIJGIWWPY-UHFFFAOYSA-N
XLogP2.82
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
CID 134250666
N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide
CID 59788779
N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
CID 59788574
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
CID 58883559
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide (CID 134250635) is N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide is O=C(C1=CN=CC=C=N1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is CPTGMEIJGIWWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-18(17-13-19-11-6-12-20-17)15-9-4-5-10-16(15)21-25(23,24)14-7-2-1-3-8-14/h1-11,13,21H.
What are the key properties of N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide?
N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 134250635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).