N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C16H22N2O2S — CID 6626011

IUPACN-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C16H22N2O2S/c1-3-11(2)18-21(19,20)12-8-9-16-14(10-12)13-6-4-5-7-15(13)17-16/h8-11,17-18H,3-7H2,1-2H3
InChIKeyOKSXFMQJGTWHLU-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.12
Rot. Bonds4

About N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 6626011) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID6626011
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C16H22N2O2S/c1-3-11(2)18-21(19,20)12-8-9-16-14(10-12)13-6-4-5-7-15(13)17-16/h8-11,17-18H,3-7H2,1-2H3
InChIKeyOKSXFMQJGTWHLU-UHFFFAOYSA-N
XLogP3.12
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 6626011) is N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is CCC(C)NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is OKSXFMQJGTWHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-11(2)18-21(19,20)12-8-9-16-14(10-12)13-6-4-5-7-15(13)17-16/h8-11,17-18H,3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 6626011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).