N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide

C13H16N2O2S — CID 113096584

IUPACN-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H16N2O2S/c1-18(16,17)15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-5,9,14-15H,6-8H2,1H3
InChIKeyIGYVFOFNQMHWCS-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.57
Rot. Bonds2

About N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide

N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide (PubChem CID 113096584) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
PubChem CID113096584
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H16N2O2S/c1-18(16,17)15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-5,9,14-15H,6-8H2,1H3
InChIKeyIGYVFOFNQMHWCS-UHFFFAOYSA-N
XLogP1.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.57
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)-4-[4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylsulfamoyl)phenoxy]benzenesulfonamide
CID 44759054
2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096592
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
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 154734790
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide?
The IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide (CID 113096584) is N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide is CS(=O)(=O)NC1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide?
The InChIKey is IGYVFOFNQMHWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18(16,17)15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-5,9,14-15H,6-8H2,1H3.
What are the key properties of N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide?
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide is sourced from PubChem (CID 113096584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).