N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide

C22H20Cl2N4O4S — CID 11156433

IUPACN-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)c1c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c1n2C
InChIInChI=1S/C22H20Cl2N4O4S/c1-4-33(30,31)27-12-5-7-17-14(9-12)19-13(6-8-18(32-3)21(19)28(17)2)22(29)26-20-15(23)10-25-11-16(20)24/h5-11,27H,4H2,1-3H3,(H,25,26,29)
InChIKeyNVIRGZANOVKVTE-UHFFFAOYSA-N
MW507.40 g/mol
LogP5.06
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide (PubChem CID 11156433) has the molecular formula C22H20Cl2N4O4S and a molecular weight of 507.40 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide
PubChem CID11156433
Molecular FormulaC22H20Cl2N4O4S
Molecular Weight507.40 g/mol
Exact Mass506.06
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)c1c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c1n2C
InChIInChI=1S/C22H20Cl2N4O4S/c1-4-33(30,31)27-12-5-7-17-14(9-12)19-13(6-8-18(32-3)21(19)28(17)2)22(29)26-20-15(23)10-25-11-16(20)24/h5-11,27H,4H2,1-3H3,(H,25,26,29)
InChIKeyNVIRGZANOVKVTE-UHFFFAOYSA-N
XLogP5.06
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.40
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
CID 11546231
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
CID 11683670
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
CID 143332294
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
ethyl 5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
CID 58001400
7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
CID 141311762
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide (CID 11156433) is N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide is CCS(=O)(=O)Nc1ccc2c(c1)c1c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c1n2C.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide?
The InChIKey is NVIRGZANOVKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O4S/c1-4-33(30,31)27-12-5-7-17-14(9-12)19-13(6-8-18(32-3)21(19)28(17)2)22(29)26-20-15(23)10-25-11-16(20)24/h5-11,27H,4H2,1-3H3,(H,25,26,29).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide has a molecular weight of 507.40 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide is sourced from PubChem (CID 11156433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).