3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide

C16H15N3O3S — CID 135521631

IUPAC3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H15N3O3S/c17-16-15(11-5-2-1-3-6-11)14(20)10-19(16)12-7-4-8-13(9-12)23(18,21)22/h1-9,17,20H,10H2,(H2,18,21,22)/b17-16-
InChIKeyLDBGOOOMIGZXDK-MSUUIHNZSA-N
MW329.38 g/mol
LogP2.10
Rot. Bonds3

About 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide

3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide (PubChem CID 135521631) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide
PubChem CID135521631
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H15N3O3S/c17-16-15(11-5-2-1-3-6-11)14(20)10-19(16)12-7-4-8-13(9-12)23(18,21)22/h1-9,17,20H,10H2,(H2,18,21,22)/b17-16-
InChIKeyLDBGOOOMIGZXDK-MSUUIHNZSA-N
XLogP2.10
TPSA107.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 135455053
5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol
CID 135512441
4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol
CID 135709455
1-(3-carboxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-olate
CID 135788759
2-[[3-[4-(1H-benzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]phenyl]sulfonylamino]benzoic acid
CID 135533998
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]benzenesulfonamide
CID 135652812
3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
CID 67834371
4-[3-hydroxy-5-imino-4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-1-yl]benzenesulfonamide
CID 136725084
4-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]benzenesulfonamide
CID 136723927
1-(3-chlorophenyl)-5-imino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-ol
CID 136725397
5-imino-4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylphenyl)-2H-pyrrol-3-ol
CID 136725048
4-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-imino-2H-pyrrol-3-ol
CID 135872606

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide?
The IUPAC name of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide (CID 135521631) is 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide?
The InChIKey is LDBGOOOMIGZXDK-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-16-15(11-5-2-1-3-6-11)14(20)10-19(16)12-7-4-8-13(9-12)23(18,21)22/h1-9,17,20H,10H2,(H2,18,21,22)/b17-16-.
What are the key properties of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide?
3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 135521631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).