N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide

C17H24N2O3S — CID 113097088

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C17H24N2O3S/c1-3-4-9-23(20,21)19-12-5-7-16-14(10-12)15-11-13(22-2)6-8-17(15)18-16/h6,8,11-12,18-19H,3-5,7,9-10H2,1-2H3
InChIKeyINJLOJIFIRAKDN-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.75
Rot. Bonds6

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide (PubChem CID 113097088) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide
PubChem CID113097088
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C17H24N2O3S/c1-3-4-9-23(20,21)19-12-5-7-16-14(10-12)15-11-13(22-2)6-8-17(15)18-16/h6,8,11-12,18-19H,3-5,7,9-10H2,1-2H3
InChIKeyINJLOJIFIRAKDN-UHFFFAOYSA-N
XLogP2.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.75
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-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide
CID 113097107
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
CID 113097106
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 91352168
2-butylsulfonyl-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090234
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide (CID 113097088) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCc2[nH]c3ccc(OC)cc3c2C1.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide?
The InChIKey is INJLOJIFIRAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-4-9-23(20,21)19-12-5-7-16-14(10-12)15-11-13(22-2)6-8-17(15)18-16/h6,8,11-12,18-19H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 113097088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).