N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C15H20N2O2S — CID 20909748

IUPACN-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H20N2O2S/c1-2-9-16-20(18,19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)17-15/h7-8,10,16-17H,2-6,9H2,1H3
InChIKeyUSAHOBMEDRLMGP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.73
Rot. Bonds4

About N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 20909748) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID20909748
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H20N2O2S/c1-2-9-16-20(18,19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)17-15/h7-8,10,16-17H,2-6,9H2,1H3
InChIKeyUSAHOBMEDRLMGP-UHFFFAOYSA-N
XLogP2.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.73
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

N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 6625882
N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909731
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4046987
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944
N-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 46276106
N-(4-ethylphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
CID 20910004
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
CID 107958588

Frequently Asked Questions

What is the IUPAC name of N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 20909748) is N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is CCCNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is USAHOBMEDRLMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-9-16-20(18,19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)17-15/h7-8,10,16-17H,2-6,9H2,1H3.
What are the key properties of N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 20909748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).