6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C17H19ClN2O3S — CID 113203868

IUPAC6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C17H19ClN2O3S/c18-11-2-4-16-14(8-11)13-7-10(1-3-15(13)20-16)17(21)19-12-5-6-24(22,23)9-12/h2,4,8,10,12,20H,1,3,5-7,9H2,(H,19,21)
InChIKeyDTNLBWGGUAWQSL-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.23
Rot. Bonds2

About 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203868) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203868
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C17H19ClN2O3S/c18-11-2-4-16-14(8-11)13-7-10(1-3-15(13)20-16)17(21)19-12-5-6-24(22,23)9-12/h2,4,8,10,12,20H,1,3,5-7,9H2,(H,19,21)
InChIKeyDTNLBWGGUAWQSL-UHFFFAOYSA-N
XLogP2.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.23
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

(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
ethyl 4-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]benzoate
CID 113203916
N-(1,1-dioxothiolan-3-yl)-6-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203737
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203864
ethyl 4-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 113204130
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203865
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203868) is 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is DTNLBWGGUAWQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c18-11-2-4-16-14(8-11)13-7-10(1-3-15(13)20-16)17(21)19-12-5-6-24(22,23)9-12/h2,4,8,10,12,20H,1,3,5-7,9H2,(H,19,21).
What are the key properties of 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).