N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C17H24N2O2S — CID 6625882

IUPACN-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H24N2O2S/c1-12(2)9-10-18-22(20,21)13-7-8-17-15(11-13)14-5-3-4-6-16(14)19-17/h7-8,11-12,18-19H,3-6,9-10H2,1-2H3
InChIKeyDHECAGKKAKXQBV-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.37
Rot. Bonds5

About N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 6625882) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID6625882
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H24N2O2S/c1-12(2)9-10-18-22(20,21)13-7-8-17-15(11-13)14-5-3-4-6-16(14)19-17/h7-8,11-12,18-19H,3-6,9-10H2,1-2H3
InChIKeyDHECAGKKAKXQBV-UHFFFAOYSA-N
XLogP3.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909748
N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909731
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-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 46276106
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 6625882) is N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is CC(C)CCNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is DHECAGKKAKXQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(2)9-10-18-22(20,21)13-7-8-17-15(11-13)14-5-3-4-6-16(14)19-17/h7-8,11-12,18-19H,3-6,9-10H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 320.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 6625882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).