N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

C27H18Cl2FN5O5S — CID 25173788

IUPACN-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl
InChIInChI=1S/C27H18Cl2FN5O5S/c28-16-9-19-18(32-27(29)33-19)8-12(16)11-35-20-10-17(30)14-5-7-40-24(14)22(20)21(15-2-1-6-31-25(15)36)23(35)26(37)34-41(38,39)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,31,36)(H,32,33)(H,34,37)
InChIKeyGIWSRKZXGZGXNG-UHFFFAOYSA-N
MW614.44 g/mol
LogP5.34
Rot. Bonds6

About N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 25173788) has the molecular formula C27H18Cl2FN5O5S and a molecular weight of 614.44 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
PubChem CID25173788
Molecular FormulaC27H18Cl2FN5O5S
Molecular Weight614.44 g/mol
Exact Mass613.04
IUPAC NameN-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl
InChIInChI=1S/C27H18Cl2FN5O5S/c28-16-9-19-18(32-27(29)33-19)8-12(16)11-35-20-10-17(30)14-5-7-40-24(14)22(20)21(15-2-1-6-31-25(15)36)23(35)26(37)34-41(38,39)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,31,36)(H,32,33)(H,34,37)
InChIKeyGIWSRKZXGZGXNG-UHFFFAOYSA-N
XLogP5.34
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.44
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 25173788) is N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl.
What is the InChIKey of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The InChIKey is GIWSRKZXGZGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2FN5O5S/c28-16-9-19-18(32-27(29)33-19)8-12(16)11-35-20-10-17(30)14-5-7-40-24(14)22(20)21(15-2-1-6-31-25(15)36)23(35)26(37)34-41(38,39)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,31,36)(H,32,33)(H,34,37).
What are the key properties of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 614.44 g/mol, XLogP of 5.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 25173788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).