N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide

C26H27ClN8O6S — CID 11215676

IUPACN-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESN#Cc1ncc2nc1OCCCCCOc1cc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)c(Cl)cc1NC(=O)N2
InChIInChI=1S/C26H27ClN8O6S/c27-18-12-20-22(13-19(18)34-42(37,38)17-4-5-24(30-15-17)35-6-10-39-11-7-35)40-8-2-1-3-9-41-25-21(14-28)29-16-23(32-25)33-26(36)31-20/h4-5,12-13,15-16,34H,1-3,6-11H2,(H2,31,32,33,36)
InChIKeyVNSKOEYXFZHHGA-UHFFFAOYSA-N
MW615.07 g/mol
LogP3.62
Rot. Bonds4

About N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide

N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 11215676) has the molecular formula C26H27ClN8O6S and a molecular weight of 615.07 g/mol. Its IUPAC name is N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID11215676
Molecular FormulaC26H27ClN8O6S
Molecular Weight615.07 g/mol
Exact Mass614.15
IUPAC NameN-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESN#Cc1ncc2nc1OCCCCCOc1cc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)c(Cl)cc1NC(=O)N2
InChIInChI=1S/C26H27ClN8O6S/c27-18-12-20-22(13-19(18)34-42(37,38)17-4-5-24(30-15-17)35-6-10-39-11-7-35)40-8-2-1-3-9-41-25-21(14-28)29-16-23(32-25)33-26(36)31-20/h4-5,12-13,15-16,34H,1-3,6-11H2,(H2,31,32,33,36)
InChIKeyVNSKOEYXFZHHGA-UHFFFAOYSA-N
XLogP3.62
TPSA180.69 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.07
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide with MolForge

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Related Compounds

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3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149
6-chloro-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-4H-1,4-benzoxazine-7-sulfonamide
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N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 166097378
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
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6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
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N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
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CID 122320602
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 58694533
2,4-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide (CID 11215676) is N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide is N#Cc1ncc2nc1OCCCCCOc1cc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)c(Cl)cc1NC(=O)N2.
What is the InChIKey of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is VNSKOEYXFZHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN8O6S/c27-18-12-20-22(13-19(18)34-42(37,38)17-4-5-24(30-15-17)35-6-10-39-11-7-35)40-8-2-1-3-9-41-25-21(14-28)29-16-23(32-25)33-26(36)31-20/h4-5,12-13,15-16,34H,1-3,6-11H2,(H2,31,32,33,36).
What are the key properties of N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide?
N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 615.07 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetrazatricyclo[16.3.1.05,10]docosa-1(21),5,7,9,18(22),19-hexaen-8-yl)-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 11215676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).