N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide

C30H27Br2N3O4S — CID 3125892

IUPACN-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27Br2N3O4S/c1-19-3-11-26(12-4-19)40(38,39)35(24-9-7-23(8-10-24)33-20(2)36)18-25(37)17-34-29-13-5-21(31)15-27(29)28-16-22(32)6-14-30(28)34/h3-16,25,37H,17-18H2,1-2H3,(H,33,36)
InChIKeyHNZUHURFGBGGGQ-UHFFFAOYSA-N
MW685.44 g/mol
LogP6.84
Rot. Bonds8

About N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide

N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 3125892) has the molecular formula C30H27Br2N3O4S and a molecular weight of 685.44 g/mol. Its IUPAC name is N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID3125892
Molecular FormulaC30H27Br2N3O4S
Molecular Weight685.44 g/mol
Exact Mass683.01
IUPAC NameN-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27Br2N3O4S/c1-19-3-11-26(12-4-19)40(38,39)35(24-9-7-23(8-10-24)33-20(2)36)18-25(37)17-34-29-13-5-21(31)15-27(29)28-16-22(32)6-14-30(28)34/h3-16,25,37H,17-18H2,1-2H3,(H,33,36)
InChIKeyHNZUHURFGBGGGQ-UHFFFAOYSA-N
XLogP6.84
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.44
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 71945543
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-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
CID 44883503
N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3125893
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide
CID 154714916
3-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 15991298
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 3125892) is N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is HNZUHURFGBGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Br2N3O4S/c1-19-3-11-26(12-4-19)40(38,39)35(24-9-7-23(8-10-24)33-20(2)36)18-25(37)17-34-29-13-5-21(31)15-27(29)28-16-22(32)6-14-30(28)34/h3-16,25,37H,17-18H2,1-2H3,(H,33,36).
What are the key properties of N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 685.44 g/mol, XLogP of 6.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 3125892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).