2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

C20H22N2O2S — CID 113096592

IUPAC2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C20H22N2O2S/c1-13-7-8-14(2)20(11-13)25(23,24)22-15-9-10-19-17(12-15)16-5-3-4-6-18(16)21-19/h3-8,11,15,21-22H,9-10,12H2,1-2H3
InChIKeyKTALTIBMDYEMNE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.62
Rot. Bonds3

About 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (PubChem CID 113096592) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
PubChem CID113096592
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C20H22N2O2S/c1-13-7-8-14(2)20(11-13)25(23,24)22-15-9-10-19-17(12-15)16-5-3-4-6-18(16)21-19/h3-8,11,15,21-22H,9-10,12H2,1-2H3
InChIKeyKTALTIBMDYEMNE-UHFFFAOYSA-N
XLogP3.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-[4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylsulfamoyl)phenoxy]benzenesulfonamide
CID 44759054
5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113096612
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096614
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
CID 113097106
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113096937
(2S,3S)-2-methyl-N-[(3R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]oxolane-3-sulfonamide
CID 124868439
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (CID 113096592) is 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The InChIKey is KTALTIBMDYEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-7-8-14(2)20(11-13)25(23,24)22-15-9-10-19-17(12-15)16-5-3-4-6-18(16)21-19/h3-8,11,15,21-22H,9-10,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113096592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).