N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide

C21H24N2O2S — CID 20970048

IUPACN-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1
InChIInChI=1S/C21H24N2O2S/c1-2-15-7-6-8-16(13-15)23-26(24,25)17-11-12-21-19(14-17)18-9-4-3-5-10-20(18)22-21/h6-8,11-14,22-23H,2-5,9-10H2,1H3
InChIKeyRMZDVBFTJGKABR-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.80
Rot. Bonds4

About N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide

N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide (PubChem CID 20970048) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
PubChem CID20970048
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1
InChIInChI=1S/C21H24N2O2S/c1-2-15-7-6-8-16(13-15)23-26(24,25)17-11-12-21-19(14-17)18-9-4-3-5-10-20(18)22-21/h6-8,11-14,22-23H,2-5,9-10H2,1H3
InChIKeyRMZDVBFTJGKABR-UHFFFAOYSA-N
XLogP4.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.80
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-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909731
N-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608
N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909748
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 46276106
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
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
N-(4-ethylphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
CID 20910004
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide (CID 20970048) is N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide is CCc1cccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1.
What is the InChIKey of N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide?
The InChIKey is RMZDVBFTJGKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-2-15-7-6-8-16(13-15)23-26(24,25)17-11-12-21-19(14-17)18-9-4-3-5-10-20(18)22-21/h6-8,11-14,22-23H,2-5,9-10H2,1H3.
What are the key properties of N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide?
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide is sourced from PubChem (CID 20970048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).