[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

C20H21Cl2N4O3S- — CID 4753597

IUPAC[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
SMILESCc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3C(C=C(Cl)Cl)C3(C)C)cc2)n1
InChIInChI=1S/C20H22Cl2N4O3S/c1-11-9-12(2)24-19(23-11)26-30(28,29)14-7-5-13(6-8-14)25-18(27)17-15(10-16(21)22)20(17,3)4/h5-10,15,17H,1-4H3,(H2,23,24,25,26,27)/p-1
InChIKeyTWALLYYUXGERKU-UHFFFAOYSA-M
MW468.39 g/mol
LogP5.02
Rot. Bonds6

About [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide (PubChem CID 4753597) has the molecular formula C20H21Cl2N4O3S- and a molecular weight of 468.39 g/mol. Its IUPAC name is [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide.

Molecular Properties

Compound Name[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
PubChem CID4753597
Molecular FormulaC20H21Cl2N4O3S-
Molecular Weight468.39 g/mol
Exact Mass467.07
IUPAC Name[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
SMILESCc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3C(C=C(Cl)Cl)C3(C)C)cc2)n1
InChIInChI=1S/C20H22Cl2N4O3S/c1-11-9-12(2)24-19(23-11)26-30(28,29)14-7-5-13(6-8-14)25-18(27)17-15(10-16(21)22)20(17,3)4/h5-10,15,17H,1-4H3,(H2,23,24,25,26,27)/p-1
InChIKeyTWALLYYUXGERKU-UHFFFAOYSA-M
XLogP5.02
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide with MolForge

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Related Compounds

cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1161173
3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 4021409
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678125
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
4-[[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 7453301
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-phenylcyclopropane-1-carboxamide
CID 677691
trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 706303
trans-(1S,3R)-N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 929124
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 674063
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 11243487

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?
The IUPAC name of [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide (CID 4753597) is [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide.
What is the SMILES notation for [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?
The canonical SMILES for [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide is Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3C(C=C(Cl)Cl)C3(C)C)cc2)n1.
What is the InChIKey of [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?
The InChIKey is TWALLYYUXGERKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22Cl2N4O3S/c1-11-9-12(2)24-19(23-11)26-30(28,29)14-7-5-13(6-8-14)25-18(27)17-15(10-16(21)22)20(17,3)4/h5-10,15,17H,1-4H3,(H2,23,24,25,26,27)/p-1.
What are the key properties of [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?
[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide has a molecular weight of 468.39 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide is sourced from PubChem (CID 4753597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).