N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide

C26H27N5O4S — CID 141497361

IUPACN-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide
SMILESCOc1ccc(N(CCCn2ccnc2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1
InChIInChI=1S/C26H27N5O4S/c1-29-22-8-5-4-7-20(22)21-17-19(9-10-23(21)29)36(32,33)31(15-6-14-30-16-13-27-18-30)24-11-12-25(34-2)28-26(24)35-3/h4-5,7-13,16-18H,6,14-15H2,1-3H3
InChIKeyYGUIIICZIHKOMN-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.23
Rot. Bonds9

About N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide

N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide (PubChem CID 141497361) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide
PubChem CID141497361
Molecular FormulaC26H27N5O4S
Molecular Weight505.60 g/mol
Exact Mass505.18
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide
SMILESCOc1ccc(N(CCCn2ccnc2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1
InChIInChI=1S/C26H27N5O4S/c1-29-22-8-5-4-7-20(22)21-17-19(9-10-23(21)29)36(32,33)31(15-6-14-30-16-13-27-18-30)24-11-12-25(34-2)28-26(24)35-3/h4-5,7-13,16-18H,6,14-15H2,1-3H3
InChIKeyYGUIIICZIHKOMN-UHFFFAOYSA-N
XLogP4.23
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide (CID 141497361) is N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide is COc1ccc(N(CCCn2ccnc2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide?
The InChIKey is YGUIIICZIHKOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-29-22-8-5-4-7-20(22)21-17-19(9-10-23(21)29)36(32,33)31(15-6-14-30-16-13-27-18-30)24-11-12-25(34-2)28-26(24)35-3/h4-5,7-13,16-18H,6,14-15H2,1-3H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide?
N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide has a molecular weight of 505.60 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-9-methylcarbazole-3-sulfonamide is sourced from PubChem (CID 141497361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).