5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide

C18H20N2O2S2 — CID 113096612

IUPAC5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)s1
InChIInChI=1S/C18H20N2O2S2/c1-2-13-8-10-18(23-13)24(21,22)20-12-7-9-17-15(11-12)14-5-3-4-6-16(14)19-17/h3-6,8,10,12,19-20H,2,7,9,11H2,1H3
InChIKeyZBDOTJXWTLGMFD-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.63
Rot. Bonds4

About 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide

5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide (PubChem CID 113096612) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
PubChem CID113096612
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)s1
InChIInChI=1S/C18H20N2O2S2/c1-2-13-8-10-18(23-13)24(21,22)20-12-7-9-17-15(11-12)14-5-3-4-6-16(14)19-17/h3-6,8,10,12,19-20H,2,7,9,11H2,1H3
InChIKeyZBDOTJXWTLGMFD-UHFFFAOYSA-N
XLogP3.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
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)-4-[4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylsulfamoyl)phenoxy]benzenesulfonamide
CID 44759054
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096592
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096614
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide (CID 113096612) is 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)s1.
What is the InChIKey of 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is ZBDOTJXWTLGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-2-13-8-10-18(23-13)24(21,22)20-12-7-9-17-15(11-12)14-5-3-4-6-16(14)19-17/h3-6,8,10,12,19-20H,2,7,9,11H2,1H3.
What are the key properties of 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 360.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 113096612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).