4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

C23H28N2O2S — CID 113097405

IUPAC4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCN(C1CCc2[nH]c3ccccc3c2C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H28N2O2S/c1-23(2,3)16-9-12-18(13-10-16)28(26,27)25(4)17-11-14-22-20(15-17)19-7-5-6-8-21(19)24-22/h5-10,12-13,17,24H,11,14-15H2,1-4H3
InChIKeyACAWFDPUHMRRKO-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.64
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (PubChem CID 113097405) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
PubChem CID113097405
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCN(C1CCc2[nH]c3ccccc3c2C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H28N2O2S/c1-23(2,3)16-9-12-18(13-10-16)28(26,27)25(4)17-11-14-22-20(15-17)19-7-5-6-8-21(19)24-22/h5-10,12-13,17,24H,11,14-15H2,1-4H3
InChIKeyACAWFDPUHMRRKO-UHFFFAOYSA-N
XLogP4.64
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 170652555
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
N-(2-chloro-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 141340702
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
CID 54554079
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (CID 113097405) is 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is CN(C1CCc2[nH]c3ccccc3c2C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The InChIKey is ACAWFDPUHMRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-23(2,3)16-9-12-18(13-10-16)28(26,27)25(4)17-11-14-22-20(15-17)19-7-5-6-8-21(19)24-22/h5-10,12-13,17,24H,11,14-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide has a molecular weight of 396.56 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113097405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).