N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide

C31H25N3O5S — CID 3515324

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc2c(N(CC(O)Cn3c4ccccc4c4ccccc43)S(=O)(=O)c3ccccc3)cccc12
InChIInChI=1S/C31H25N3O5S/c35-22(20-32-28-16-6-4-12-24(28)25-13-5-7-17-29(25)32)21-33(40(38,39)23-10-2-1-3-11-23)30-18-8-15-27-26(30)14-9-19-31(27)34(36)37/h1-19,22,35H,20-21H2
InChIKeyKDMVACOEYJCAFK-UHFFFAOYSA-N
MW551.62 g/mol
LogP6.11
Rot. Bonds8

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide (PubChem CID 3515324) has the molecular formula C31H25N3O5S and a molecular weight of 551.62 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
PubChem CID3515324
Molecular FormulaC31H25N3O5S
Molecular Weight551.62 g/mol
Exact Mass551.15
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc2c(N(CC(O)Cn3c4ccccc4c4ccccc43)S(=O)(=O)c3ccccc3)cccc12
InChIInChI=1S/C31H25N3O5S/c35-22(20-32-28-16-6-4-12-24(28)25-13-5-7-17-29(25)32)21-33(40(38,39)23-10-2-1-3-11-23)30-18-8-15-27-26(30)14-9-19-31(27)34(36)37/h1-19,22,35H,20-21H2
InChIKeyKDMVACOEYJCAFK-UHFFFAOYSA-N
XLogP6.11
TPSA105.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.62
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-N-(2-nitrophenyl)benzenesulfonamide
CID 7429809
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 1296457
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
CID 135295627
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
CID 44883503

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide (CID 3515324) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide is O=[N+]([O-])c1cccc2c(N(CC(O)Cn3c4ccccc4c4ccccc43)S(=O)(=O)c3ccccc3)cccc12.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is KDMVACOEYJCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O5S/c35-22(20-32-28-16-6-4-12-24(28)25-13-5-7-17-29(25)32)21-33(40(38,39)23-10-2-1-3-11-23)30-18-8-15-27-26(30)14-9-19-31(27)34(36)37/h1-19,22,35H,20-21H2.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 551.62 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 3515324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).