N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide

C19H20N2O2S — CID 4997944

IUPACN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-24(23,15-6-2-1-3-7-15)20-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)21-19/h1-3,6-7,10-12,20-21H,4-5,8-9,13H2
InChIKeyAVPUJFLMEGGUQN-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.53
Rot. Bonds4

About N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide

N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide (PubChem CID 4997944) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
PubChem CID4997944
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-24(23,15-6-2-1-3-7-15)20-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)21-19/h1-3,6-7,10-12,20-21H,4-5,8-9,13H2
InChIKeyAVPUJFLMEGGUQN-UHFFFAOYSA-N
XLogP3.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.53
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

4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4046987
N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909748
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-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 4220236

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide (CID 4997944) is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is AVPUJFLMEGGUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-24(23,15-6-2-1-3-7-15)20-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)21-19/h1-3,6-7,10-12,20-21H,4-5,8-9,13H2.
What are the key properties of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide?
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4997944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).