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

C25H25N5O4S — CID 141497359

IUPACN-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide
SMILESCOc1ccc(N(CCn2ccnc2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1
InChIInChI=1S/C25H25N5O4S/c1-28-21-7-5-4-6-19(21)20-16-18(8-9-22(20)28)35(31,32)30(15-14-29-13-12-26-17-29)23-10-11-24(33-2)27-25(23)34-3/h4-13,16-17H,14-15H2,1-3H3
InChIKeyTZKOTBAKNVREJX-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.84
Rot. Bonds8

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

N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide (PubChem CID 141497359) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide
PubChem CID141497359
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide
SMILESCOc1ccc(N(CCn2ccnc2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1
InChIInChI=1S/C25H25N5O4S/c1-28-21-7-5-4-6-19(21)20-16-18(8-9-22(20)28)35(31,32)30(15-14-29-13-12-26-17-29)23-10-11-24(33-2)27-25(23)34-3/h4-13,16-17H,14-15H2,1-3H3
InChIKeyTZKOTBAKNVREJX-UHFFFAOYSA-N
XLogP3.84
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.84
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-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide (CID 141497359) is N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide is COc1ccc(N(CCn2ccnc2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide?
The InChIKey is TZKOTBAKNVREJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-28-21-7-5-4-6-19(21)20-16-18(8-9-22(20)28)35(31,32)30(15-14-29-13-12-26-17-29)23-10-11-24(33-2)27-25(23)34-3/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide?
N-(2,6-dimethoxy-3-pyridinyl)-N-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide has a molecular weight of 491.57 g/mol, XLogP of 3.84, 8 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-(2-imidazol-1-ylethyl)-9-methylcarbazole-3-sulfonamide is sourced from PubChem (CID 141497359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).