N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide

C18H18ClN3O2S — CID 66806145

IUPACN-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide
SMILESCn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CNCC2
InChIInChI=1S/C18H18ClN3O2S/c1-22-17-6-5-14(10-15(17)16-11-20-8-7-18(16)22)25(23,24)21-13-4-2-3-12(19)9-13/h2-6,9-10,20-21H,7-8,11H2,1H3
InChIKeyVFPWEEZAQVCXQV-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.28
Rot. Bonds3

About N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide

N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide (PubChem CID 66806145) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide
PubChem CID66806145
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide
SMILESCn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CNCC2
InChIInChI=1S/C18H18ClN3O2S/c1-22-17-6-5-14(10-15(17)16-11-20-8-7-18(16)22)25(23,24)21-13-4-2-3-12(19)9-13/h2-6,9-10,20-21H,7-8,11H2,1H3
InChIKeyVFPWEEZAQVCXQV-UHFFFAOYSA-N
XLogP3.28
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide (CID 66806145) is N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide is Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CNCC2.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide?
The InChIKey is VFPWEEZAQVCXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-22-17-6-5-14(10-15(17)16-11-20-8-7-18(16)22)25(23,24)21-13-4-2-3-12(19)9-13/h2-6,9-10,20-21H,7-8,11H2,1H3.
What are the key properties of N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide?
N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide is sourced from PubChem (CID 66806145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).