N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C19H17F3N2O3S — CID 46276106

IUPACN-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-13-7-5-12(6-8-13)24-28(25,26)14-9-10-18-16(11-14)15-3-1-2-4-17(15)23-18/h5-11,23-24H,1-4H2
InChIKeySPCBSSJNVBRVOD-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.75
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 46276106) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID46276106
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-13-7-5-12(6-8-13)24-28(25,26)14-9-10-18-16(11-14)15-3-1-2-4-17(15)23-18/h5-11,23-24H,1-4H2
InChIKeySPCBSSJNVBRVOD-UHFFFAOYSA-N
XLogP4.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.75
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-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 6625882
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
4-methyl-3-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 7938995
N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909731
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 46276106) is N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is SPCBSSJNVBRVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)27-13-7-5-12(6-8-13)24-28(25,26)14-9-10-18-16(11-14)15-3-1-2-4-17(15)23-18/h5-11,23-24H,1-4H2.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 410.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 46276106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).