N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide

C33H35N3O4S — CID 44883503

IUPACN-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C33H35N3O4S/c1-23-13-19-27(20-14-23)41(39,40)36(25-17-15-24(16-18-25)32(38)34-33(2,3)4)22-26(37)21-35-30-11-7-5-9-28(30)29-10-6-8-12-31(29)35/h5-20,26,37H,21-22H2,1-4H3,(H,34,38)
InChIKeyQLRFZGAQSFLALL-UHFFFAOYSA-N
MW569.73 g/mol
LogP5.89
Rot. Bonds8

About N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide

N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 44883503) has the molecular formula C33H35N3O4S and a molecular weight of 569.73 g/mol. Its IUPAC name is N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID44883503
Molecular FormulaC33H35N3O4S
Molecular Weight569.73 g/mol
Exact Mass569.23
IUPAC NameN-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C33H35N3O4S/c1-23-13-19-27(20-14-23)41(39,40)36(25-17-15-24(16-18-25)32(38)34-33(2,3)4)22-26(37)21-35-30-11-7-5-9-28(30)29-10-6-8-12-31(29)35/h5-20,26,37H,21-22H2,1-4H3,(H,34,38)
InChIKeyQLRFZGAQSFLALL-UHFFFAOYSA-N
XLogP5.89
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
3-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 15991298
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 98468019
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 4282252
N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 3125892
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide (CID 44883503) is N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)c2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is QLRFZGAQSFLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O4S/c1-23-13-19-27(20-14-23)41(39,40)36(25-17-15-24(16-18-25)32(38)34-33(2,3)4)22-26(37)21-35-30-11-7-5-9-28(30)29-10-6-8-12-31(29)35/h5-20,26,37H,21-22H2,1-4H3,(H,34,38).
What are the key properties of N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide?
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 569.73 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 44883503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).